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)

samfur

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)

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Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

144089-97-4

Mabuɗin Abubuwan Jiki Daraja Yanayi
Nauyin Kwayoyin Halitta 857.91 -
pKa (An annabta) 9.16 ± 0.20 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

MURMUSHI na Canonical

N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=NC=6C (=O)N=C(NC(=O)C(C)C)NC65)N(C(C)C)C(C)C

MURMUSHI

C (OC[C@H] 1[C@@H](OP(N(C(C))C)C H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3(C4=CC=C(OC)C =C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6

InChi

InChi= 1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60-) 61 (58-24-12-23-46) 52 (28 (3)4)29 (5) 6)35 (59-42)25-57-44 (30-13-10-9-11-14-30,31-15-19-33(55-7)20-16- 31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12, 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1

InChi Key

KJFUMXZZVYMQEU-AOCJBPQJSA-N

1 Wani Sunan Wannan Abu

Guanosin, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluoro-N(2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl bis (1-methyl ethyl) phosphoramite] (9CI)

Kayayyakin Hasashen

Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Yanayi Source
Factor na Bioconcentration 298 pH da 1; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 6350 pH da 2; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 57800 pH da 3; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.76 x 105 pH da 4; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2.21 x 105 pH da 5; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2.26 x 105 pH da 6; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2.24 x 105 pH da 7; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2.03 x 105 pH da 8; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.04 x 105 pH da 9; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 19300 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

Tushen Halin Ƙimar Dukiya
Koc 312 pH 1; Zazzabi: 25 °C (1) ACD
Koc 6630 pH 2; Zazzabi: 25 °C (1) ACD
Koc 60400 pH 3; Zazzabi: 25 °C (1) ACD
Koc 1.84 x 105 pH 4; Zazzabi: 25 °C (1) ACD
Koc 2.31 x 105 pH 5; Zazzabi: 25 °C (1) ACD
Koc 2.37 x 105 pH 6; Zazzabi: 25 °C (1) ACD
Koc 2.35 x 105 pH 7; Zazzabi: 25 °C (1) ACD
Koc 2.12 x 105 pH 8; Zazzabi: 25 °C (1) ACD
Koc 1.08 x 105 pH 9; Zazzabi: 25 °C (1) ACD
Koc 20200 pH 10; Zazzabi: 25 °C (1) ACD
logD 4.47 pH 1; Zazzabi: 25 °C (1) ACD
logD 5.80 pH 2; Zazzabi: 25 °C (1) ACD

 

Dukiya Daraja Yanayi Source
logD 6.76 pH da 3; Zazzabi: 25 ° C (1) ACD
logD 7.24 pH da 4; Zazzabi: 25 ° C (1) ACD
logD 7.34 pH da 5; Zazzabi: 25 ° C (1) ACD
logD 7.35 pH da 6; Zazzabi: 25 ° C (1) ACD
logD 7.35 pH da 7; Zazzabi: 25 ° C (1) ACD
logD 7.30 pH da 8; Zazzabi: 25 ° C (1) ACD
logD 7.01 pH da 9; Zazzabi: 25 ° C (1) ACD
logD 6.28 pH 10; Zazzabi: 25 ° C (1) ACD
logP 7.351± 0.713 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 3.0 x 10-5 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.022 g/L pH da 1; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.0 x 10-3 g/L pH da 2; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.2 x 10-4 g/L pH da 3; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.9 x 10-5 g/L pH da 4; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 x 10-5 g/L pH da 5; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.0 x 10-5 g/L pH da 6; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.0 x 10-5 g/L pH da 7; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.3 x 10-5 g/L pH da 8; Zazzabi: 25 ° C (1) ACD
Mass Solubility 6.5 x 10-5 g/L pH da 9; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.5 x 10-4 g/L pH 10; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.0 x 10-5 g/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 3.5 x 10-8 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.6 x 10-5 mol/L pH da 1; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.2 x 10-6 mol/L pH da 2; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.4 x 10-7 mol/L pH da 3; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.5 x 10-8 mol/L pH da 4; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.6 x 10-8 mol/L pH da 5; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.5 x 10-8 mol/L pH da 6; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.5 x 10-8 mol/L pH da 7; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.9 x 10-8 mol/L pH da 8; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 7.6 x 10-8 mol/L pH da 9; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.1 x 10-7 mol/L pH 10; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Yanayi Source
Solubility na Molar 3.5 x 10-8 mol/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 857.91    
pKa 9.16 ± 0.20 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa 3.45± 0.70 Mafi Asalin 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)

Tsarin Yanayi

Dukiya Daraja Tushen yanayi
Wuri Mai Girma 184 A2 (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 Yanayi Source
Ƙimar Rarraba Kyauta 18   (1) ACD
H Masu karɓa 15   (1) ACD
H Masu Ba da taimako 2   (1) ACD
H Donor/Acceptor Sum 17   (1) ACD
logP 7.351± 0.713 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 857.91    

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


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