C39H46FN4O8P mkojo, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluoro-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidid] (2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidid]
Nambari ya Usajili wa CAS
146954-75-8
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 748.78 | - |
PKA (alitabiri) | 9.39 ± 0.10 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical
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.
Tabasamu za Isomeric
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 = c = c4 = c4 = cc
Inchi
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) 428 (36) 40) 43-23-21-34 (45) 42-38 (43) -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, 10,24-25H2,6, H 3-, 35-, 36-, 37-, 53?/M1/s1
Ufunguo wa Inchi
Hqhqpayrjjmyqx-djtpzymwsa-n
1 Jina lingine kwa dutu hii
Uridine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci)
Mali inapatikana
Kibaolojia
Kemikali
Lipinski
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 457 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3690 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 27700 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 82900 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.04 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.06 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.06 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.02 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 76200 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 22000 | pH 10; Temp: 25 ° c | (1) ACD |
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Chanzo cha hali ya thamani ya mali |
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 |
Mali | Thamani | Hali | Chanzo |
logi | 6.81 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 6.91 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 6.92 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 6.92 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 6.90 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 6.77 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 6.23 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 6.918 ± 0.641 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 2.2 x 10-5 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.1 x 10-3 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 6.3 x 10-4 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 8.2 x 10-5 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.8 x 10-5 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.2 x 10-5 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.2 x 10-5 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.2 x 10-5 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.2 x 10-5 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.0 x 10-5 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.0 x 10-4 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.2 x 10-5 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 2.9 x 10-8 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.8 x 10-6 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.4 x 10-7 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.1 x 10-7 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.7 x 10-8 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.0 x 10-8 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.9 x 10-8 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.9 x 10-8 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.0 x 10-8 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.0 x 10-8 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.4 x 10-7 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.9 x 10-8 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Uzito wa Masi | 748.78 | ||
PKA | 9.39 ± 0.10 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | 3.45 ± 0.70 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
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Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 17 | (1) ACD | |
Wapokeaji | 12 | (1) ACD | |
H wafadhili | 1 | (1) ACD | |
H wafadhili/jumla ya jumla | 13 | (1) ACD | |
Logp | 6.918 ± 0.641 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 748.78 |
.
Mali | Thamani | Chanzo cha hali |
Eneo la uso wa polar | 145 A2 | (1) ACD |
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