C42H52N5O9P Cytidine, N-acetyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-O- methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] ( ACI)

samfur

C42H52N5O9P Cytidine, N-acetyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-O- methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] ( ACI)

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Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

199593-09-4

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 801.87 -
pKa (An annabta) 10.18± 0.20 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

MURMUSHI na Canonical

N#CCCOP(OC1C(OC(N2C=CC(= NC2=O)NC(=O)C)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5 = CC=C(OC)C=C5)N(C(C)C)C(C)C

MURMUSHI

C(OC[C@H] 1[C@@H](OP(N(C)C)C(C)C)OCCC#N 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/C42H52N5O9P/c1-28(2)47(29(3)4)57(54-26-12-24-43)56-38-36(55-40(39(38)52-8)46- 25-23-37 (44-30 (5)48)45-41 (46)49)27-53 -42 (31-13-10-9-11-14-31,32-15-19-34(50-6)20-16-32)33-17-21-35( 51-7)22-18-33/h9-11,13-23,25,28-29,36,38-40H,12,26-27H2,1-8H3,( H,44,45,48,49)/t36-,38-,39-,40-,57?/m1/s1

InChi Key

WNWUMIPFLOKTEZ-UAQIPLLRSA-N

1 Wani Sunan Wannan Abu

Cytidine,N-Acetyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)

Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 4.77 pH da 1; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 50.1 pH da 2; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 2190 pH da 3; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 21700 pH da 4; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 35700 pH da 5; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 37800 pH da 6; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 37900 pH da 7; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 37300 pH da 8; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 31400 pH da 9; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 12300 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 8.29 pH 1; Zazzabi: 25 °C (1) ACD
Koc 87.1 pH 2; Zazzabi: 25 °C (1) ACD
Koc 3800 pH 3; Zazzabi: 25 °C (1) ACD
Koc 37700 pH 4; Zazzabi: 25 °C (1) ACD
Koc 62000 pH 5; Zazzabi: 25 ° C (1) ACD
Koc 65700 pH 6; Zazzabi: 25 °C (1) ACD
Koc 65900 pH 7; Zazzabi: 25 °C (1) ACD
Koc 64700 pH 8; Zazzabi: 25 °C (1) ACD
Koc 54500 pH 9; Zazzabi: 25 °C (1) ACD
Koc 21400 pH 10; Zazzabi: 25 °C (1) ACD
logD 2.43 pH 1; Zazzabi: 25 °C (1) ACD
logD 3.45 pH 2; Zazzabi: 25 °C (1) ACD
logD 5.09 pH 3; Zazzabi: 25 °C (1) ACD

 

Dukiya Daraja Sharadi Source
logD 6.09 pH da 4; Zazzabi: 25 ° C (1) ACD
logD 6.30 pH da 5; Zazzabi: 25 ° C (1) ACD
logD 6.33 pH da 6; Zazzabi: 25 ° C (1) ACD
logD 6.33 pH da 7; Zazzabi: 25 ° C (1) ACD
logD 6.32 pH da 8; Zazzabi: 25 ° C (1) ACD
logD 6.25 pH da 9; Zazzabi: 25 ° C (1) ACD
logD 5.84 pH 10; Zazzabi: 25 ° C (1) ACD
logP 6.329± 0.771 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 1.8 x 10-4 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.4 g/L pH da 1; Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.14 g/L pH da 2; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 x 10-3 g/L pH da 3; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH da 4; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.9 x 10-4 g/L pH da 5; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.8 x 10-4 g/L pH da 6; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.8 x 10-4 g/L pH da 7; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.8 x 10-4 g/L pH da 8; Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.2 x 10-4 g/L pH da 9; Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.6 x 10-4 g/L pH 10; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.8 x 10-4 g/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 2.3 x 10-7 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.8 x 10-3 mol/L pH da 1; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.7 x 10-4 mol/L pH da 2; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.9 x 10-6 mol/L pH da 3; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.0 x 10-7 mol/L pH da 4; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.4 x 10-7 mol/L pH da 5; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.3 x 10-7 mol/L pH da 6; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.3 x 10-7 mol/L pH da 7; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.3 x 10-7 mol/L pH da 8; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.8 x 10-7 mol/L pH da 9; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 7.0 x 10-7 mol/L pH 10; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.3 x 10-7 mol/L Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Nauyin Kwayoyin Halitta 801.87    
pKa 10.18± 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)

Lipinski

Dukiya Daraja Sharadi Source
Ƙimar Rarraba Kyauta 18   (1) ACD
H Masu karɓa 14   (1) ACD
H Masu Ba da taimako 1   (1) ACD
H Donor/Acceptor Sum 15   (1) ACD
logP 6.329± 0.771 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 801.87    

(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 167 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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