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

imveliso

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

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iinkcukacha zeZiyobisi

Inombolo yoBhaliso yeCAS

163759-94-2

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 922.01 -
pKa (Kuxelwe kwangaphambili) 8.59±0.40 Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical

N#CCCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C

Isomeric UNCUMA

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ 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( 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

Isitshixo se-InchI

I-FLIGVMLIIDVDSN-GICDFOIUSA-N

26 Amanye Amagama ale Nxibelelwano

Cytidine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI);12: PN: WO03084478 IPHEPHA: 57 ibango leDNA;14: PN: US20030170636 IPHEPHA: I-17 ebizwa ngokuba yiDNA;15: PN: U

S20030211606 IPHEPHA: I-19 ibango leDNA;15: PN: US20030212017 IPHEPHA: I-19 ibango leDNA;16: PN: US20040005569 IPHEPHA: Ama-22 abanga iDNA;17: PN: US20040006030 IPHEPHA: I-DNA engama-23 ebangwayo;17: PN: US20040014049 IPHEPHA: I-DNA engama-20 ebangwayo;18: PN: US20040014047 PAG E: 20 ibango leDNA;18: PN: US20040014048 IPHEPHA: I-DNA ebanga ama-20;18: PN: US20040014050 IPHEPHA: I-DNA engama-20 ebangwayo;19: PN: U

S20030171313 IPHEPHA: 9 ibango leDNA;19: PN: US20030198965 IPHEPHA: Ama-20 abanga iDNA;19: PN: US20040005565 IPHEPHA: 17- 22 ibango leDNA;19: PN: US20040005570 IPHEPHA: I-DNA ebanga ama-20;19: PN: US20040014051 IPHEPHA: Ama-22 abanga iDNA;20: PN: US20040014699 PAG

E: 20 ibango leDNA;21: PN: US20040006029 IPHEPHA: I-DNA ebanga ama-23;21: PN: WO03106645 IPHEPHA: I-DNA ebanga ama-72;61: PN: US20030

166592 IPHEPHA: I-15 ekuthiwa yiDNA;7: PN: WO2005006958 IPHEPHA: I-DNA ebanga ama-62;84: PN: US20040171566 IPHEPHA: I-18 ibango leDNA;92:

I-PN: US20040005707 IPHEPHA: I-20 ibango le-DNA;9: PN: WO2005007825 IPHEPHA: I-DNA ebanga ama-62;N4-Benzoyl-2′ -O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′ -phosphoramidite;N4-Benzoyl-2′ -O-methoxyethyl-5′ -O-dimethoxytrityl-5-methylcytidine-3′ - amidite

ISpectra yoMfuniselo

ISpectra ekhoyo
13 C NMR
Hetero NMR

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo oluNxulumeneyo

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 171 pH 1;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1250 pH 2;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 47600 pH 3;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 6.44 x 105 pH 4;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.00 x 106 pH 5;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.00 x 106 pH 6;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.00 x 106 pH 7;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 7.79 x 105 pH 8;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.63 x 105 pH 9;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 30800 pH 10;Ubushushu: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ikhemikhali

Ipropati Ixabiso Imeko Umthombo
Koc 106 pH 1;Ubushushu: 25 °C (1) ACD
Koc 773 pH 2;Ubushushu: 25 °C (1) ACD
Koc 29500 pH 3;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Koc 3.99 x 105 pH 4;Ubushushu: 25 °C (1) ACD
Koc 8.02 x 105 pH 5;Ubushushu: 25 °C (1) ACD
Koc 8.70 x 105 pH 6;Ubushushu: 25 °C (1) ACD
Koc 8.16 x 105 pH 7;Ubushushu: 25 °C (1) ACD
Koc 4.83 x 105 pH 8;Ubushushu: 25 °C (1) ACD
Koc 1.01 x 105 pH 9;Ubushushu: 25 °C (1) ACD
Koc 19100 pH 10;Ubushushu: 25 °C (1) ACD
logD 4.48 pH 1;Ubushushu: 25 °C (1) ACD
logD 5.34 pH 2;Ubushushu: 25 °C (1) ACD
logD 6.92 pH 3;Ubushushu: 25 °C (1) ACD
logD 8.06 pH 4;Ubushushu: 25 °C (1) ACD
logD 8.36 pH 5;Ubushushu: 25 °C (1) ACD
logD 8.39 pH 6;Ubushushu: 25 °C (1) ACD
logD 8.37 pH 7;Ubushushu: 25 °C (1) ACD
logD 8.14 pH 8;Ubushushu: 25 °C (1) ACD
logD 7.46 pH 9;Ubushushu: 25 °C (1) ACD
logD 6.73 pH 10;Ubushushu: 25 °C (1) ACD
logP 8.401±0.723 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 1.4 x 10-4 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.1 g/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.16 g/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 4.1 x 10-3 g/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.0 x 10-4 g/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.5 x 10-4 g/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.4 x 10-4 g/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.5 x 10-4 g/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.5 x 10-4 g/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.2 x 10-3 g/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 6.3 x 10-3 g/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.5 x 10-4 g/L Amanzi angaphazanyiswanga pH 6.97;Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 1.5 x 10-7 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.2 x 10-3 mol/L pH 1;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kweMolar 1.7 x 10-4 mol/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 4.4 x 10-6 mol / L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.2 x 10-7 mol/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.6 x 10-7 mol/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.5 x 10-7 mol/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.6 x 10-7 mol/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 2.7 x 10-7 mol/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.3 x 10-6 mol/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 6.8 x 10-6 mol/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 1.6 x 10-7 mol/L Amanzi angaphazanyiswanga pH 6.97;Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 922.01    
pKa 8.59±0.40 Eyona Temp iAcidic Temp: 25 °C (1) ACD
pKa 3.87±0.20 Eyona Tempile iSiseko: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ipropati Ixabiso Imeko Umthombo
Iibhondi eziGuquguqukayo ngokukhululekileyo 22 (1) ACD
H Abamkeli 15 (1) ACD
H Abaxhasi 1 (1) ACD
H Umnikeli/uMamkeli Isambuku 16 (1) ACD
logP 8.401±0.723 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 922.01

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso Umthombo wemeko
Indawo yePolar Surface 176 A2 (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

ISpectra eqikelelweyo

ISpectra ekhoyo
1 H NMR
13 C NMR


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