![C31H30N2O7 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-7- methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 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-7- methyl-, (2R,3R,3aS,9aR)- (9CI, ACI) Hoton da aka Fitar](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 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-7- methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 542.58 | - |
| Wurin tafasa (An annabta) | 692.9± 65.0 °C | Latsa: 760 Torr |
| Girma (An annabta) | 1.33± 0.1 g/cm3 | Zazzabi: 20 ° C;Latsa: 760 Torr |
| pKa (An annabta) | 12.51± 0.60 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES O=C1N=C2OC3C(O)C(OC3N2C=C1C)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=C(C)C(=O)N3)[H] [H])(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi=1S/C31H30N2O7/c1-19-17-33-29-27(40-30(33)32-28(19)35)26(34)25(39-29)18-38-31(20-) 7-5-4-6-8-20,21-9-13-23 (36-2) 14-10-21
)22-11-15-24(37-3)16-12-22/h4-17,25-27,29,34H,18H2,1-3H3/t25-,26-,27+,29-/m1 /s1
InChi Key
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Wani Sunan Wannan Abu
(2R,3R,3aS,9aR)-2-[[Bis (4-methoxyphenyl) phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-7-methyl-6H-furo[2′, 3′:4,5]oxazolo [3,2-a]pyrimidin-6-daya (ACI)
Spectra akwai
1H NMR
13C NMR
Mass
| Properties akwai |
| Halittu |
| Chemical |
| Yawan yawa |
| Lipinski |
| Tsarin Yanayi |
| Thermal |
Halittu
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 2800 | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2800 | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2800 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2800 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2800 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2800 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2800 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2800 | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2800 | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2790 | 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 | 10200 | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Koc | 10200 | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Koc | 10200 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Koc | 10200 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Koc | 10200 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Koc | 10200 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Koc | 10200 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Koc | 10200 | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| Koc | 10200 | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| Koc | 10200 | pH 10;Zazzabi: 25 ° C | (1) ACD |
| logD | 4.84 | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| logD | 4.84 | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| logD | 4.84 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| logD | 4.84 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| logD | 4.84 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| logD | 4.84 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| logD | 4.84 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| logD | 4.84 | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| logD | 4.84 | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| logD | 4.84 | pH 10;Zazzabi: 25 ° C | (1) ACD |
| logP | 4.839± 0.618 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 3.6 x 10-4 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | pH 10;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g/L | Ruwan da ba a buguwa pH 7.00;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 6.6 x 10-7 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.6 x 10-7 mol/L | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.6 x 10-7 mol/L | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.6 x 10-7 mol/L | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 6.6 x 10-7 mol/L | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.6 x 10-7 mol/L | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.6 x 10-7 mol/L | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.6 x 10-7 mol/L | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.6 x 10-7 mol/L | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.6 x 10-7 mol/L | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.7 x 10-7 mol/L | pH 10;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 6.6 x 10-7 mol/L | Ruwan da ba a buguwa pH 7.00;Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 542.58 | ||
| pKa | 12.51± 0.60 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | -4.38±0.60 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
| Ruwan Ruwa | 3.73 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 | 1.33± 0.1 g/cm3 | Zazzabi: 20 ° C;Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 404.9± 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 | |
| H Masu karɓa | 9 | (1) ACD | |
| H Masu Ba da taimako | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 10 | (1) ACD | |
| logP | 4.839± 0.618 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 542.58 |
(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 | 692.9± 65.0 °C | Latsa: 760 Torr | (1) ACD |
| Enthalpy na Vaporization | 106.61± 3.0 kJ/mol | Latsa: 760 Torr | (1) ACD |
| Wurin Flash | 372.8± 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
![C45H56N7O9P Guanosin, 5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
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