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)
Nambari ya Usajili ya CAS
163759-94-2
Sifa Muhimu za Kimwili | Thamani | Hali |
Uzito wa Masi | 922.01 | - |
pKa (Iliyotabiriwa) | 8.59±0.40 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kikanuni
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 TABASAMU
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
Ufunguo wa InChI
FIGVMLIIDVDSN-GICDFOIUSA-N
26 Majina Mengine ya Dawa hii
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 UKURASA: 57 walidai DNA; 14: PN: US20030170636 UKURASA: 17 walidai DNA; 15: PN: U
S20030211606 UKURASA: 19 alidai DNA; 15: PN: US20030212017 UKURASA: 19 walidai DNA; 16: PN: US20040005569 UKURASA: 22 walidai DNA; 17: PN: US20040006030 UKURASA: 23 walidai DNA; 17: PN: US20040014049 UKURASA: 20 walidai DNA; 18: PN: US20040014047 UKURASA E: 20 inayodaiwa DNA; 18: PN: US20040014048 UKURASA: 20 walidai DNA; 18: PN: US20040014050 UKURASA: 20 walidai DNA; 19: PN: U
S20030171313 UKURASA: 9 alidai DNA; 19: PN: US20030198965 UKURASA: 20 walidai DNA; 19: PN: US20040005565 UKURASA: 17- 22 alidai DNA; 19: PN: US20040005570 UKURASA: 20 walidai DNA; 19: PN: US20040014051 UKURASA: 22 walidai DNA; 20: PN: US20040014699 PAG
E: 20 alidai DNA; 21: PN: US20040006029 UKURASA: 23 walidai DNA; 21: PN: WO03106645 UKURASA: 72 walidai DNA; 61: PN: US20030
166592 UKURASA: 15 walidai DNA; 7: PN: WO2005006958 UKURASA: 62 walidai DNA; 84: PN: US20040171566 UKURASA: 18 walidai DNA; 92:
PN: US20040005707 UKURASA: 20 walidai DNA; 9: PN: WO2005007825 UKURASA: 62 walidai DNA;N4-Benzoyl-2′ -O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′ -phosphoramidite;N4-Benzoyl-2′ -O-methoxyethyl-5′ -O-dimethoxytrityl-5-methylcytidine-3′ - amidite
Spectra inapatikana
13 C NMR
Hetero NMR
Mali zinazopatikana
Kibiolojia
Kemikali
Lipinski
Kuhusiana na Muundo
Mali | Thamani | Hali | Chanzo |
Kipengele cha Mkusanyiko wa Kibiolojia | 171 | pH 1; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1250 | pH 2; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 47600 | pH 3; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 6.44 x 105 | pH 4; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.00 x 106 | pH 5; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.00 x 106 | pH 6; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.00 x 106 | pH 7; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 7.79 x 105 | pH 8; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.63 x 105 | pH 9; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 30800 | pH 10; Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Koc | 106 | pH 1; Joto: 25 °C | (1) ACD |
Koc | 773 | pH 2; Joto: 25 °C | (1) ACD |
Koc | 29500 | pH 3; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Koc | 3.99 x 105 | pH 4; Joto: 25 °C | (1) ACD |
Koc | 8.02 x 105 | pH 5; Joto: 25 °C | (1) ACD |
Koc | 8.70 x 105 | pH 6; Joto: 25 °C | (1) ACD |
Koc | 8.16 x 105 | pH 7; Joto: 25 °C | (1) ACD |
Koc | 4.83 x 105 | pH 8; Joto: 25 °C | (1) ACD |
Koc | 1.01 x 105 | pH 9; Joto: 25 °C | (1) ACD |
Koc | 19100 | pH 10; Joto: 25 °C | (1) ACD |
logD | 4.48 | pH 1; Joto: 25 °C | (1) ACD |
logD | 5.34 | pH 2; Joto: 25 °C | (1) ACD |
logD | 6.92 | pH 3; Joto: 25 °C | (1) ACD |
logD | 8.06 | pH 4; Joto: 25 °C | (1) ACD |
logD | 8.36 | pH 5; Joto: 25 °C | (1) ACD |
logD | 8.39 | pH 6; Joto: 25 °C | (1) ACD |
logD | 8.37 | pH 7; Joto: 25 °C | (1) ACD |
logD | 8.14 | pH 8; Joto: 25 °C | (1) ACD |
logD | 7.46 | pH 9; Joto: 25 °C | (1) ACD |
logD | 6.73 | pH 10; Joto: 25 °C | (1) ACD |
logP | 8.401±0.723 | Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Misa | 1.4 x 10-4 g/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.1 g/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 0.16 g/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.1 x 10-3 g/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 3.0 x 10-4 g/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.5 x 10-4 g/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.4 x 10-4 g/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.5 x 10-4 g/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 2.5 x 10-4 g/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.2 x 10-3 g/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 6.3 x 10-3 g/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.5 x 10-4 g/L | Maji yasio na buffered pH 6.97; Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Molar | 1.5 x 10-7 mol/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.2 x 10-3 mol/L | pH 1; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 4.4 x 10-6 mol/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 3.2 x 10-7 mol/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.6 x 10-7 mol/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.5 x 10-7 mol/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.6 x 10-7 mol/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 2.7 x 10-7 mol/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.3 x 10-6 mol/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 6.8 x 10-6 mol/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.6 x 10-7 mol/L | Maji yasio na buffered pH 6.97; Joto: 25 °C | (1) ACD |
Uzito wa Masi | 922.01 | ||
pKa | 8.59±0.40 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD |
pKa | 3.87±0.20 | Joto la Msingi Zaidi: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Vifungo vinavyoweza kuzungushwa kwa Uhuru | 22 | (1) ACD | |
H Wakubali | 15 | (1) ACD | |
H Wafadhili | 1 | (1) ACD | |
H Jumla ya Mfadhili/Mpokeaji | 16 | (1) ACD | |
logP | 8.401±0.723 | Joto: 25 °C | (1) ACD |
Uzito wa Masi | 922.01 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Chanzo cha Hali |
Eneo la Uso wa Polar | 176 A2 | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1 H NMR
13 C NMR