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)
Nomoro ea Registry ea CAS
163759-94-2
Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
Boima ba Molek'hule | 922.01 | - |
pKa (E boletsoeng esale pele) | 8.59±0,40 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Canonical POSISO
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 SOSOA
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
Senotlolo sa InChi
FIGVMLIIDVDSN-GICDFOIUSA-N
26 Mabitso a Mang a Ntho ena
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 LEQEPHE: 57 e bolela DNA; 14: PN: US20030170636 LEQEPHE: 17 e bolela DNA; 15: PN: U
S20030211606 LEQEPHE: 19 e tseka DNA; 15: PN: US20030212017 LEQEPHE: 19 e bolela DNA; 16: PN: US20040005569 LEQEPHE: 22 e bolela DNA; 17: PN: US20040006030 LEQEPHE: 23 e boleloang ke DNA; 17: PN: US20040014049 LEQEPHE: 20 e bolela DNA; 18: PN: US20040014047 PAG E: 20 e tseka DNA; 18: PN: US20040014048 LEQEPHE: 20 e bolela DNA; 18: PN: US20040014050 LEQEPHE: Ba 20 ba ipolelang hore ke DNA; 19: PN: U
S20030171313 LEQEPHE: 9 e boleloang ke DNA; 19: PN: US20030198965 LEQEPHE: 20 e bolela DNA; 19: PN: US20040005565 LEQEPHE: 17- 22 e tsekang DNA; 19: PN: US20040005570 LEQEPHE: Ba 20 ba ipolelang hore ke DNA; 19: PN: US20040014051 LEQEPHE: 22 e bolela DNA; 20: PN: US20040014699 PAG
E: 20 e boletseng DNA; 21: PN: US20040006029 LEQEPHE: 23 e tseka DNA; 21: PN: WO03106645 LEQEPHE: 72 e bolela DNA; 61: PN: US20030
166592 LEQEPHE: 15 ho thoe ke DNA; 7: PN: WO2005006958 LEQEPHE: 62 e bolela DNA; 84: PN: US20040171566 LEQEPHE: 18 e bolela DNA; 92:
PN: US20040005707 LEQEPHE: 20 e qotsitsoeng DNA; 9: PN: WO2005007825 LEQEPHE: 62 e bolela DNA;N4-Benzoyl-2′ -OMethoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3'-phosphoramidite;N4-Benzoyl-2′ -OMethoxyethyl-5′ -O-dimethoxytrityl-5-methylcytidine-3' - amidite
Spectra e fumaneha
13 C NMR
Hetero NMR
Thepa e teng
Likokoana-hloko
Lik'hemik'hale
Lipinski
Sebopeho se Amanang
Thepa | Boleng | Boemo | Mohloli |
Bioconcentration Factor | 171 | pH 1; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1250 | pH 2; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 47600 | pH 3; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 6.44 x 105 | pH 4; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.00 x 106 | pH 5; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.00 x 106 | pH 6; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.00 x 106 | pH 7; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 7.79 x 105 | pH 8; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 1.63 x 105 | pH 9; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 30800 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thepa | Boleng | Boemo | Mohloli |
Koc | 106 | pH 1; Mocheso: 25 °C | (1) ACD |
Koc | 773 | pH 2; Mocheso: 25 °C | (1) ACD |
Koc | 29500 | pH 3; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Koc | 3.99 x 105 | pH 4; Mocheso: 25 °C | (1) ACD |
Koc | 8.02 x 105 | pH 5; Mocheso: 25 °C | (1) ACD |
Koc | 8.70 x 105 | pH 6; Mocheso: 25 °C | (1) ACD |
Koc | 8.16 x 105 | pH 7; Mocheso: 25 °C | (1) ACD |
Koc | 4.83 x 105 | pH 8; Mocheso: 25 °C | (1) ACD |
Koc | 1.01 x 105 | pH 9; Mocheso: 25 °C | (1) ACD |
Koc | 19100 | pH 10; Mocheso: 25 °C | (1) ACD |
logD | 4.48 | pH 1; Mocheso: 25 °C | (1) ACD |
logD | 5.34 | pH 2; Mocheso: 25 °C | (1) ACD |
logD | 6.92 | pH 3; Mocheso: 25 °C | (1) ACD |
logD | 8.06 | pH 4; Mocheso: 25 °C | (1) ACD |
logD | 8.36 | pH 5; Mocheso: 25 °C | (1) ACD |
logD | 8.39 | pH 6; Mocheso: 25 °C | (1) ACD |
logD | 8.37 | pH 7; Mocheso: 25 °C | (1) ACD |
logD | 8.14 | pH 8; Mocheso: 25 °C | (1) ACD |
logD | 7.46 | pH 9; Mocheso: 25 °C | (1) ACD |
logD | 6.73 | pH 10; Mocheso: 25 °C | (1) ACD |
logP | 8.401±0.723 | Mocheso: 25 °C | (1) ACD |
Mass Intrinsic Sollubility | 1.4 x 10-4 g/L | Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.1 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 0.16 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 4.1 x 10-3 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 3.0 x 10-4 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.5 x 10-4 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.4 x 10-4 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.5 x 10-4 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.5 x 10-4 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.2 x 10-3 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 6.3 x 10-3 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.5 x 10-4 g/L | Metsi a sa tsitsang pH 6.97; Mocheso: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 1.5 x 10-7 mol/L | Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.2 x 10-3 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Molar Solubility | 1.7 x 10-4 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 4.4 x 10-6 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.2 x 10-7 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.6 x 10-7 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.5 x 10-7 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.6 x 10-7 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 2.7 x 10-7 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.3 x 10-6 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.8 x 10-6 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.6 x 10-7 mol/L | Metsi a sa tsitsang pH 6.97; Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 922.01 | ||
pKa | 8.59±0,40 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
pKa | 3.87±0,20 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thepa | Boleng | Boemo | Mohloli |
Li-Bonds tse ka fetolehang ka bolokolohi | 22 | (1) ACD | |
H Ba amohelang | 15 | (1) ACD | |
H Bafani | 1 | (1) ACD | |
H Kakaretso ea Mofani/Moamoheli | 16 | (1) ACD | |
logP | 8.401±0.723 | Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 922.01 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thepa | Boleng | Mohloli oa Boemo |
Sebaka sa Polar Surface | 176 A2 | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1 H NMR
13 C NMR