C50H60N5O10P Cytidine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -o- (2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl N, n-bis (1-methylethyl) fosfaramidít (aci) (aci) (1-bis (1-methylethyl) (aci).
Uimhir Chlárlann CAS
163759-94-2
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 922.01 | - |
PKA (tuartha) | 8.59 ± 0.40 | An luas is aigéid: 25 ° C. |
Smiles Canónach
N#CCCOP (OC1C (OC (N2C = C (C (C (= NC2 = O) NC (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C (C) C = C (CC)
Smiles isiméireach
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
Orlach
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 (59-21-39) 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/H9-14,16,32,32,32,32,32-11-9-12-12-17-37/H9-14,16,3,3,3,3,32,32,3,3 35,43-45,48h, 15,29-31,33h2,1-8H3, (H, 52,53,56,57)/T43-, 44-, 45-, 48-, 66?/M1/S1
Eochair Inchi
Fligvmliidvdsn-gicdfoiusa-n
26 ainmneacha eile don tsubstaint seo
Cytidine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-(2-methoxyethyl)-5-meitil-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci); 12: PN: WO03084478 Leathanach: 57 DNA a éilíodh; 14: PN: US20030170636 Leathanach: 17 Éilítear DNA; 15: pn: u
S20030211606 Leathanach: 19 Éilítear DNA; 15: PN: US20030212017 Leathanach: 19 Éilítear DNA; 16: PN: US20040005569 Leathanach: 22 Éilithe DNA; 17: PN: US20040006030 Leathanach: 23 DNA éilithe; 17: PN: US20040014049 Leathanach: 20 DNA a éilítear; 18: PN: US20040014047 PAG E: 20 DNA éilithe; 18: PN: US20040014048 Leathanach: 20 DNA a éilítear; 18: PN: US20040014050 Leathanach: 20 DNA éilithe; 19: pn: u
S20030171313 Leathanach: 9 Éilítear DNA; 19: PN: US20030198965 Leathanach: 20 DNA éilithe; 19: PN: US20040005565 Leathanach: 17-22 22 Éilítear DNA; 19: PN: US20040005570 Leathanach: 20 DNA éilithe; 19: PN: US20040014051 Leathanach: 22 DNA éilithe; 20: PN: US20040014699 PAG
E: 20 DNA éilithe; 21: PN: US20040006029 Leathanach: 23 Éilítear DNA; 21: PN: WO03106645 Leathanach: 72 éileamh DNA; 61: PN: US20030
166592 Leathanach: 15 DNA éilithe; 7: PN: WO2005006958 Leathanach: 62 DNA a éilíodh; 84: PN: US20040171566 Leathanach: 18 éileamh DNA; 92:
PN: US20040005707 Leathanach: 20 DNA a éilítear; 9: PN: WO2005007825 Leathanach: 62 éileamh 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
Speictrim ar fáil
13 C NMR
Hetero NMR
Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Lipinski
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 171 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1250 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 47600 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 6.44 x 105 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.00 x 106 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.00 x 106 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.00 x 106 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 7.79 x 105 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.63 x 105 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 30800 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 106 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 773 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 29500 | pH 3; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 3.99 x 105 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 8.02 x 105 | pH 5; TEMP: 25 ° C. | (1) ACD |
KOC | 8.70 x 105 | pH 6; TEMP: 25 ° C. | (1) ACD |
KOC | 8.16 x 105 | pH 7; TEMP: 25 ° C. | (1) ACD |
KOC | 4.83 x 105 | pH 8; TEMP: 25 ° C. | (1) ACD |
KOC | 1.01 x 105 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 19100 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 4.48 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | 5.34 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | 6.92 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | 8.06 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 8.36 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 8.39 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 8.37 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 8.14 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 7.46 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 6.73 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 8.401 ± 0.723 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 1.4 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.1 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 0.16 g/L. | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.1 x 10-3 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.0 x 10-4 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.5 x 10-4 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.4 x 10-4 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.5 x 10-4 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.5 x 10-4 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.2 x 10-3 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 6.3 x 10-3 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.5 x 10-4 g/l | Uisce neamh -mhaolaithe pH 6.97; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 1.5 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.2 x 10-3 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Tuaslagthacht molar | 1.7 x 10-4 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 4.4 x 10-6 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.2 x 10-7 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.6 x 10-7 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.5 x 10-7 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.6 x 10-7 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.7 x 10-7 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.3 x 10-6 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.8 x 10-6 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.6 x 10-7 mol/l | Uisce neamh -mhaolaithe pH 6.97; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 922.01 | ||
pka | 8.59 ± 0.40 | An luas is aigéid: 25 ° C. | (1) ACD |
pka | 3.87 ± 0.20 | An luas is bunúsaí: 25 ° C. | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 22 | (1) ACD | |
H Glacadóirí | 15 | (1) ACD | |
Hontóirí H. | 1 | (1) ACD | |
H suim deontóra/glacadóir | 16 | (1) ACD | |
logáil | 8.401 ± 0.723 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 922.01 |
.
Maoin | Luach | Foinse choinníll |
Achar dromchla polar | 176 A2 | (1) ACD |
.
Speictrim ar fáil
1 H NMR
13 C NMR