C39H46FN4O8P fual, 5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI).
Uimhir Chlárlann CAS
146954-75-8
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 748.78 | - |
PKA (tuartha) | 9.39 ± 0.10 | An luas is aigéid: 25 ° C. |
Smiles Canónach
N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = CC (= O) NC5 = O) N (C (C) C) C (C) C
Smiles isiméireach
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (F) [C @@ H] (O1) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) C = C3) C = CC = CC = CC = CC = CC = CC = CC = CC = C = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c (
Orlach
Inchi = 1S/C39H46FN4O8P/C1-26 (2) 44 (27 (3) 4) 53 (50-24-10-22-41) 52-36-33 (51-37 (35 (36) 40) 43-23-21-34 (45) 42-38 (43) 46) 25-49-39 (28-34 (45) 42-38 (43) 46) -8-7-9-12-28,29-13-17-31 (47-5) 18-14-29) 30-15-19-32 (48-6) 20-16-30/H7-9,11-21,23,26-27,33,35-37H, 10,24-25H2,1-6H3, (H, 42,46) 3-, 35-, 36-, 37-, 53?/M1/S1
Eochair Inchi
Hqhqpayrjjmyqx-djtpzymwsa-n
1 ainm eile ar an tsubstaint seo
Uridine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)
Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Lipinski
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 457 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 3690 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 27700 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 82900 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.04 x 105 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.06 x 105 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.06 x 105 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.02 x 105 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 76200 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 22000 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Foinse Coinníoll Luach Maoine |
KOC 592 pH 1; TEMP: 25 ° C (1) ACD |
KOC 4790 pH 2; TEMP: 25 ° C (1) ACD |
KOC 36000 pH 3; TEMP: 25 ° C (1) ACD |
KOC 1.07 x 105 pH 4; TEMP: 25 ° C (1) ACD |
KOC 1.34 x 105 pH 5; TEMP: 25 ° C (1) ACD |
KOC 1.38 x 105 pH 6; TEMP: 25 ° C (1) ACD |
KOC 1.37 x 105 pH 7; TEMP: 25 ° C (1) ACD |
KOC 1.33 x 105 pH 8; TEMP: 25 ° C (1) ACD |
KOC 98800 PH 9; TEMP: 25 ° C (1) ACD |
KOC 28600 pH 10; TEMP: 25 ° C (1) ACD |
Logd 4.55 pH 1; TEMP: 25 ° C (1) ACD |
Logd 5.46 pH 2; TEMP: 25 ° C (1) ACD |
Logd 6.33 pH 3; TEMP: 25 ° C (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
logáil | 6.81 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 6.91 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 6.92 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 6.92 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 6.90 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 6.77 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 6.23 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 6.918 ± 0.641 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 2.2 x 10-5 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 5.1 x 10-3 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 6.3 x 10-4 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 8.2 x 10-5 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.8 x 10-5 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.2 x 10-5 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.2 x 10-5 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.2 x 10-5 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.2 x 10-5 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.0 x 10-5 g/L. | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.0 x 10-4 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.2 x 10-5 g/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 2.9 x 10-8 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 6.8 x 10-6 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 8.4 x 10-7 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.1 x 10-7 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.7 x 10-8 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.0 x 10-8 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-8 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-8 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.0 x 10-8 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 4.0 x 10-8 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-7 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-8 mol/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Meáchan móilíneach | 748.78 | ||
pka | 9.39 ± 0.10 | An luas is aigéid: 25 ° C. | (1) ACD |
pka | 3.45 ± 0.70 | An luas is bunúsaí: 25 ° C. | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 17 | (1) ACD | |
H Glacadóirí | 12 | (1) ACD | |
Hontóirí H. | 1 | (1) ACD | |
H suim deontóra/glacadóir | 13 | (1) ACD | |
logáil | 6.918 ± 0.641 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 748.78 |
.
Maoin | Luach | Foinse choinníll |
Achar dromchla polar | 145 A2 | (1) ACD |
.