C41H49FN5O8P Cytidine, N-acetyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite (ACI)

samfur

C41H49FN5O8P Cytidine, N-acetyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphor amidite (ACI)

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Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

159414-99-0

Mabuɗin Abubuwan Jiki Daraja Yanayi
Nauyin Kwayoyin Halitta 789.83 -
pKa (An annabta) 10.11± 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=CC(= NC5=O)NC(=O)C)N(C(C)C)C(C)C

MURMUSHI

C (OC[C@H] 1[C@@H](OP(N(C(C))C)C H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C) (OC)C=C4)C5=CC=CC=C5

InChi

InChi= 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46-24- 22-36 (44-29 (5)48)45-40 (46)49)26-52- 41 (30-12-9-8-10-13-30,31-14-18-33(50-6)19-15-31)32-16-20-34(51) -7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11,25-26H2,1-7H3,(H, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1

InChi Key

CNFKJHKDSRXNFL-UTXREMQHSA-N

1 Wani Sunan Wannan Abu

Cytidine,N-Acetyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl bis (1-methylethyl) phospho amidite] (9CI)
Spectra akwai
Mass

Kayayyakin Hasashen

Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Yanayi Source
Factor na Bioconcentration 8.60 pH da 1; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 90.3 pH da 2; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 3940 pH da 3; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 39100 pH da 4; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 64300 pH da 5; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 68100 pH da 6; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 68300 pH da 7; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 66800 pH da 8; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 54300 pH da 9; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 19200 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 Yanayi Source
Koc 12.6 pH da 1; Zazzabi: 25 ° C (1) ACD
Koc 133 pH da 2; Zazzabi: 25 ° C (1) ACD
Koc 5790 pH da 3; Zazzabi: 25 ° C (1) ACD
Koc 57400 pH da 4; Zazzabi: 25 ° C (1) ACD
Koc 94500 pH da 5; Zazzabi: 25 ° C (1) ACD
Koc 1.00 x 105 pH da 6; Zazzabi: 25 ° C (1) ACD
Koc 1.00 x 105 pH da 7; Zazzabi: 25 ° C (1) ACD
Koc 98200 pH da 8; Zazzabi: 25 ° C (1) ACD
Koc 79700 pH da 9; Zazzabi: 25 ° C (1) ACD
Koc 28200 pH 10; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Yanayi Source
logD 2.76 pH da 1; Zazzabi: 25 ° C (1) ACD
logD 3.79 pH da 2; Zazzabi: 25 ° C (1) ACD
logD 5.43 pH da 3; Zazzabi: 25 ° C (1) ACD
logD 6.42 pH da 4; Zazzabi: 25 ° C (1) ACD
logD 6.64 pH da 5; Zazzabi: 25 ° C (1) ACD
logD 6.66 pH da 6; Zazzabi: 25 ° C (1) ACD
logD 6.66 pH da 7; Zazzabi: 25 ° C (1) ACD
logD 6.65 pH da 8; Zazzabi: 25 ° C (1) ACD
logD 6.56 pH da 9; Zazzabi: 25 ° C (1) ACD
logD 6.11 pH 10; Zazzabi: 25 ° C (1) ACD
logP 6.666± 0.764 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 4.5 x 10-5 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.36 g/L pH da 1; Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.035 g/L pH da 2; Zazzabi: 25 ° C (1) ACD
Mass Solubility 7.90 x 10-4 g/L pH da 3; Zazzabi: 25 ° C (1) ACD
Mass Solubility 7.9 x 10-5 g/L pH da 4; Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.8 x 10-5 g/L pH da 5; Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.6 x 10-5 g/L pH da 6; Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.6 x 10-5 g/L pH da 7; Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 x 10-5 g/L pH da 8; Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.7 x 10-5 g/L pH da 9; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.6 x 10-4 g/L pH 10; Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.6 x 10-5 g/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 5.7 x 10-8 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.6 x 10-4 mol/L pH da 1; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.4 x 10-5 mol/L pH da 2; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.00 x 10-6 mol/L pH da 3; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.0 x 10-7 mol/L pH da 4; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.1 x 10-8 mol/L pH da 5; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.8 x 10-8 mol/L pH da 6; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.8 x 10-8 mol/L pH da 7; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.9 x 10-8 mol/L pH da 8; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Yanayi Source
Solubility na Molar 7.2 x 10-8 mol/L pH da 9; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.0 x 10-7 mol/L pH 10; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 5.8 x 10-8 mol/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 789.83
pKa 10.11± 0.20 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa 3.57± 0.20 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 158 A2 (1) ACD

(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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