![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Siffar Hoton](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 528.55 | - |
| Wurin narkewa (Gwaji) | 129.5-130 ° C | - |
| Wurin tafasa (An annabta) | 688.2± 65.0 °C | Latsa: 760 Torr |
| Girma (An annabta) | 1.35± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 12.51± 0.40 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES C (OC [C@H] 1O[C @ @] 2([C@] ([C@@H] 1O)(OC=3N2C=CC(=O)N3)[H])[H] (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7- 19,21-10-14-23(36-2)15-11-21)37-18-24-26(34)27-28 (38-24)32-17- 16-25(33)31-29(32)39-27/h3-17,24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChi Key
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Wasu Sunaye na wannan Abu
(2R,3R,3aS,9aR)-2-[Bis (4-methoxyphenyl) phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5]oxazolo[3,2-a] pyrimidin-6-daya (ACI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-daya, 2-[[bis(4-methoxyphenyl) phenylmethoxy]methyl]-2,3,3a,9a -
tetrahydro-3-hydroxy-, [2R- (2α,3β,3aβ,9aβ)]- (ZCI)
| Properties akwai |
| Thermal |
Thermal
| Dukiya | Daraja | Sharadi | Source |
| Matsayin narkewa | 129.5-130 ° C | (1) CAS | |
(1) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35 (8), 410-425, CAplus
| Spectra akwai |
| 1H NMR |
| 13C NMR |
| IR |
| Mass |
Kayayyakin Hasashen
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
| Thermal |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 1360 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1360 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1360 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1360 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1360 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1360 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1360 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 1360 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1360 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1350 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Dukiya | Daraja | Sharadi | Source |
| Koc | 6080 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6080 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6080 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6080 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6080 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6080 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6080 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6080 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6070 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Koc | 6060 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.42 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.42 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.42 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.42 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.42 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.42 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.42 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.42 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.42 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | 4.42 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | 4.424± 0.618 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 5.8 x 10-4 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Mass Solubility | 5.8 x 10-4 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-4 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 1.1 x 10-6 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.1 x 10-6 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 528.55 | ||
| pKa | 12.51± 0.40 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | -4.70±0.60 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
| Ruwan Ruwa | 6.91 x 10-20 Torr | Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
| Dukiya | Daraja | Sharadi | Source |
| Yawan yawa | 1.35± 0.1 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 389.8± 7.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 9 | (1) ACD | |
| Dukiya | Daraja | Sharadi | Source |
| H Masu karɓa | 9 | (1) ACD | |
| H Masu Ba da taimako | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 10 | (1) ACD | |
| logP | 4.424± 0.618 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 528.55 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Wuri Mai Girma | 99.1 A2 | (1) ACD | |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Dukiya | Daraja | Sharadi | Source |
| Wurin Tafasa | 688.2± 65.0 °C | Latsa: 760 Torr | (1) ACD |
| Enthalpy na Vaporization | 105.96 ± 3.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
| Wurin Flash | 370.0± 34.3 °C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR
![C36H39N5O8 Guanosin, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) - (9CI, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C33H35N3O8 Cytidine, N-acetyl-5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-O- methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)
![C44H53FN7O8 Guanosin, 5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'- fluoro-N-(2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl N, N-bis (1-methyl ethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)
![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) - (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methox yethyl) -5-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phospho amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)