C50H60N5O10P Cytidine, N-benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2'-O- (2-methoxyethyl) - 5-methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)

samfur

C50H60N5O10P Cytidine, N-benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2'-O- (2-methoxyethyl) - 5-methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite] (ACI)

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Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

163759-94-2

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 922.01 -
pKa (An annabta) 8.59± 0.40 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

MURMUSHI na Canonical

N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)) NC(=O)C=3C=CC=CC3)C)C1OCCOC =C(OC)C=C5)C6=CC=C(OC)C=C 6)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(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5= CC=C(OC)C=C5)C6=CC=CC=C6

InChi

InChi= 1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-) 10-14-19-38,39-20-24-41(59-7)25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45(45) 44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/ h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-, 45-,48-,66?/m1/s1

InChi Key

FLIGVMLIIDVDSN-GICDFOIUSA-N

26 Wasu Sunaye na wannan Abu

Cytidine,Nbenzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O(2-methoxyethyl) - 5-methyl-, 3'- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI);12: PN: WO03084478 SHAFI: 57 da'awar DNA;14: PN: US20030170636 SHAFI: 17 da'awar DNA;15: PN: ku

S20030211606 SHAFI: 19 da'awar DNA;15: PN: US20030212017 SHAFI: 19 da'awar DNA;16: PN: US20040005569 SHAFI: 22 da'awar DNA;17: PN: US20040006030 SHAFI: 23 da'awar DNA;17: PN: US20040014049 SHAFI: 20 da'awar DNA;18: PN: US20040014047 PAG E: 20 da'awar DNA;18: PN: US20040014048 SHAFI: 20 da'awar DNA;18: PN: US20040014050 SHAFI: 20 da'awar DNA;19: PN: ku

S20030171313 SHAFI: 9 da'awar DNA;19: PN: US20030198965 SHAFI: 20 da'awar DNA;19: PN: US20040005565 SHAFI: 17- 22 da'awar DNA;19: PN: US20040005570 SHAFI: 20 da'awar DNA;19: PN: US20040014051 SHAFI: 22 da'awar DNA;20: PN: US20040014699 PAG

E: 20 da'awar DNA;21: PN: US20040006029 SHAFI: 23 da'awar DNA;21: PN: WO03106645 SHAFI: 72 da'awar DNA;61: PN: US20030

166592 SHAFI: 15 da'awar DNA;7: PN: WO2005006958 SHAFI: 62 da'awar DNA;84: PN: US20040171566 SHAFI: 18 da'awar DNA;92:

PN: US20040005707 SHAFI: 20 da'awar DNA;9: PN: WO2005007825 SHAFI: 62 da'awar DNA;N4-Benzoyl-2'-OMethoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′-phosphoramite;N4-Benzoyl-2'-OMethoxyethyl-5'-O-dimethoxytrityl-5-methylcytidine-3′- amidite

Spectra na Gwaji

Spectra akwai
13 C NMR
Farashin NMR

Abubuwan Hasashen

Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 171 pH da 1;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1250 pH da 2;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 47600 pH da 3;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 6.44 x 105 pH da 4;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.00 x 106 pH da 5;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.00 x 106 pH da 6;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.00 x 106 pH da 7;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 7.79 x 105 pH da 8;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.63 x 105 pH da 9;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 30800 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 106 pH da 1;Zazzabi: 25 ° C (1) ACD
Koc 773 pH da 2;Zazzabi: 25 ° C (1) ACD
Koc 29500 pH da 3;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Koc 3.99 x 105 pH da 4;Zazzabi: 25 ° C (1) ACD
Koc 8.02 x 105 pH da 5;Zazzabi: 25 ° C (1) ACD
Koc 8.70 x 105 pH da 6;Zazzabi: 25 ° C (1) ACD
Koc 8.16 x 105 pH da 7;Zazzabi: 25 ° C (1) ACD
Koc 4.83 x 105 pH da 8;Zazzabi: 25 ° C (1) ACD
Koc 1.01 x 105 pH da 9;Zazzabi: 25 ° C (1) ACD
Koc 19100 pH 10;Zazzabi: 25 ° C (1) ACD
logD 4.48 pH da 1;Zazzabi: 25 ° C (1) ACD
logD 5.34 pH da 2;Zazzabi: 25 ° C (1) ACD
logD 6.92 pH da 3;Zazzabi: 25 ° C (1) ACD
logD 8.06 pH da 4;Zazzabi: 25 ° C (1) ACD
logD 8.36 pH da 5;Zazzabi: 25 ° C (1) ACD
logD 8.39 pH da 6;Zazzabi: 25 ° C (1) ACD
logD 8.37 pH da 7;Zazzabi: 25 ° C (1) ACD
logD 8.14 pH da 8;Zazzabi: 25 ° C (1) ACD
logD 7.46 pH da 9;Zazzabi: 25 ° C (1) ACD
logD 6.73 pH 10;Zazzabi: 25 ° C (1) ACD
logP 8.401± 0.723 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 1.4 x 10-4 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.1 g/L pH da 1;Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.16 g/L pH da 2;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.1 x 10-3 g/L pH da 3;Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.0 x 10-4 g/L pH da 4;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.5 x 10-4 g/L pH da 5;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.4 x 10-4 g/L pH da 6;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.5 x 10-4 g/L pH da 7;Zazzabi: 25 ° C (1) ACD
Mass Solubility 2.5 x 10-4 g/L pH da 8;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.2 x 10-3 g/L pH da 9;Zazzabi: 25 ° C (1) ACD
Mass Solubility 6.3 x 10-3 g/L pH 10;Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.5 x 10-4 g/L Ruwan da ba a buƙata ba pH 6.97;Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 1.5 x 10-7 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.2 x 10-3 mol/L pH da 1;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Solubility na Molar 1.7 x 10-4 mol/L pH da 2;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.4 x 10-6 mol/L pH da 3;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.2 x 10-7 mol/L pH da 4;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.6 x 10-7 mol/L pH da 5;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.5 x 10-7 mol/L pH da 6;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.6 x 10-7 mol/L pH da 7;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.7 x 10-7 mol/L pH da 8;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.3 x 10-6 mol/L pH da 9;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.8 x 10-6 mol/L pH 10;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.6 x 10-7 mol/L Ruwan da ba a buƙata ba pH 6.97;Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 922.01    
pKa 8.59± 0.40 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa 3.87± 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 22 (1) ACD
H Masu karɓa 15 (1) ACD
H Masu Ba da taimako 1 (1) ACD
H Donor/Acceptor Sum 16 (1) ACD
logP 8.401± 0.723 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 922.01

(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 176 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
1 H NMR
13 C NMR


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