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)
Inombolo yoBhaliso yeCAS
163759-94-2
IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
Ubunzima beMolekyuli | 922.01 | - |
pKa (Kuxelwe kwangaphambili) | 8.59±0.40 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical
N#CCCOP(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 ibango leDNA; 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 ebanga ama-20; 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 engama-20 ebangwayo; 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 ekhoyo
13 C NMR
Hetero NMR
Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo olunxulumeneyo
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)
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 | Owona bushushu be-Acidic 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)
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)
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 ekhoyo
1 H NMR
13 C NMR