C30H29FN2O7 Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'- fluoro- (9CI, ACI)

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C30H29FN2O7 Uridine, 5'-O-[bis(4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'- fluoro- (9CI, ACI)

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Cikakken Bayani

Tags samfurin

Kaddarorin jiki

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 548.56 -
Wurin narkewa (Gwaji) 118-120 ° C -
Girma (An annabta) 1.38± 0.1 g/cm3 Zazzabi: 20 ° C; Latsa: 760 Torr
pKa (An annabta) 9.39± 0.10 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2F
Isomeric SMILES C (OC [C@H] 1O[C@H] ([C@H] (F) [C@@H] 1O) N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChi=1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7) -19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
InChi Key
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Wani Sunan Wannan Abu
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluorouridine (ACI)

Abubuwan Gwaji

Properties akwai
Thermal

Thermal

Dukiya Daraja Sharadi Source
Matsayin narkewa 118-120 ° C (1) CAS

(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, CAplus

Spectra na Gwaji

Spectra akwai
1H NMR
13C NMR

Kayayyakin Hasashen

Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 3580 pH da 1; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3580 pH da 2; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3580 pH da 3; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3580 pH da 4; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3580 pH da 5; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3580 pH da 6; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3570 pH da 7; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3430 pH da 8; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2500 pH da 9; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 689 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 12200 pH da 1; Zazzabi: 25 ° C (1) ACD
Koc 12200 pH da 2; Zazzabi: 25 ° C (1) ACD
Koc 12200 pH da 3; Zazzabi: 25 ° C (1) ACD
Koc 12200 pH da 4; Zazzabi: 25 ° C (1) ACD
Koc 12200 pH da 5; Zazzabi: 25 ° C (1) ACD
Koc 12200 pH da 6; Zazzabi: 25 ° C (1) ACD
Koc 12100 pH da 7; Zazzabi: 25 ° C (1) ACD
Koc 11700 pH da 8; Zazzabi: 25 ° C (1) ACD
Koc 8480 pH da 9; Zazzabi: 25 ° C (1) ACD
Koc 2340 pH 10; Zazzabi: 25 ° C (1) ACD
logD 4.98 pH da 1; Zazzabi: 25 ° C (1) ACD
logD 4.98 pH da 2; Zazzabi: 25 ° C (1) ACD
logD 4.98 pH da 3; Zazzabi: 25 ° C (1) ACD
logD 4.98 pH da 4; Zazzabi: 25 ° C (1) ACD
logD 4.98 pH da 5; Zazzabi: 25 ° C (1) ACD
logD 4.98 pH da 6; Zazzabi: 25 ° C (1) ACD
logD 4.98 pH da 7; Zazzabi: 25 ° C (1) ACD
logD 4.96 pH da 8; Zazzabi: 25 ° C (1) ACD
logD 4.82 pH da 9; Zazzabi: 25 ° C (1) ACD
logD 4.26 pH 10; Zazzabi: 25 ° C (1) ACD
logP 4.979± 0.563 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 9.9 x 10-5 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.9 x 10-5 g/L pH da 1; Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.9 x 10-5 g/L pH da 2; Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.9 x 10-5 g/L pH da 3; Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.9 x 10-5 g/L pH da 4; Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.9 x 10-5 g/L pH da 5; Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.9 x 10-5 g/L pH da 6; Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.9 x 10-5 g/L pH da 7; Zazzabi: 25 ° C (1) ACD
Mass Solubility 9.9 x 10-5 g/L pH da 8; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.4 x 10-4 g/L pH da 9; Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.0 x 10-4 g/L pH 10; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Mass Solubility 9.9 x 10-5 g/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 1.8 x 10-7 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-7 mol/L pH da 1; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-7 mol/L pH da 2; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-7 mol/L pH da 3; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-7 mol/L pH da 4; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-7 mol/L pH da 5; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-7 mol/L pH da 6; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-7 mol/L pH da 7; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-7 mol/L pH da 8; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.5 x 10-7 mol/L pH da 9; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 9.2 x 10-7 mol/L pH 10; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-7 mol/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 548.56    
pKa 9.39± 0.10 Mafi yawan zafin jiki: 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 1.38± 0.1 g/cm3 Zazzabi: 20 ° C; Latsa: 760 Torr (1) ACD
Ƙarar Molar 395.8± 5.0 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 10   (1) ACD
H Masu karɓa 9   (1) ACD
H Masu Ba da taimako 2   (1) ACD
H Donor/Acceptor Sum 11   (1) ACD
logP 4.979± 0.563 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 548.56    

(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 107 A2 (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra da aka annabta

Spectra akwai
1H NMR
13C NMR


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