C44H53FN7O8 guanosine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′-fluoro-N- (2-methyl-1-oxopropyl)-, 3 ′-[2-cynoethyl N, N-bis (1-methyl)-, 3 ′-[2-cynothyl N, N-bis (1-methyl)
Nambari ya Usajili wa CAS
144089-97-4
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 857.91 | - |
PKA (alitabiri) | 9.16 ± 0.20 | 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 = NC = 6C (= O) N = C (NC (= O) (C) C) NC65 (C) C) C) NC65 (C) C) C) NC65
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) N2C3 = C (N = C2) C (= O) N = C (NC (C (C) C) = O) N3) (C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = c4 = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
Inchi = 1S/C44H53FN7O8P/C1-27 (2) 40 (53) 49-43-48-39-37 (41 (54) 50-43) 47-26-51 (39) 42-36 (45) 38 (60-61 (58-22-23 6) 35 (59-42) 25-57-44 (30-13-10-9-11-14-30,31-15-19-33 (55-7) 20-16-31) 32-17-21-34 (56-8) 22-18-32/H9-11,13-22,26,35,35,35,35,35,35,35,35,35,35,35,35,35,35,35,35,35,35,25 24-25H2,1-8H3, (H2,48,49,50,53,54)/T35-, 36-, 38-, 42-, 61?/M1/S1
Ufunguo wa Inchi
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Jina lingine kwa dutu hii
Guanosine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-N-(2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl bis (1-methyl ethyl) phosphoramidite] (9ci)
Mali inapatikana
Kibaolojia
Kemikali
Lipinski
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 298 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 6350 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 57800 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.76 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.21 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.26 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.24 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.03 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.04 x 105 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 19300 | pH 10; Temp: 25 ° c | (1) ACD |
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Chanzo cha hali ya thamani ya mali |
KOC 312 pH 1; Temp: 25 ° C (1) ACD |
KOC 6630 pH 2; Temp: 25 ° C (1) ACD |
KOC 60400 pH 3; Temp: 25 ° C (1) ACD |
KOC 1.84 x 105 pH 4; Temp: 25 ° C (1) ACD |
KOC 2.31 x 105 pH 5; Temp: 25 ° C (1) ACD |
KOC 2.37 x 105 pH 6; Temp: 25 ° C (1) ACD |
KOC 2.35 x 105 pH 7; Temp: 25 ° C (1) ACD |
KOC 2.12 x 105 pH 8; Temp: 25 ° C (1) ACD |
KOC 1.08 x 105 pH 9; Temp: 25 ° C (1) ACD |
KOC 20200 pH 10; Temp: 25 ° C (1) ACD |
logd 4.47 pH 1; Temp: 25 ° C (1) ACD |
logd 5.80 pH 2; Temp: 25 ° C (1) ACD |
Mali | Thamani | Hali | Chanzo |
logi | 6.76 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 7.24 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 7.34 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 7.35 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 7.35 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 7.30 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 7.01 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 6.28 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 7.351 ± 0.713 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 3.0 x 10-5 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.022 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.0 x 10-3 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.2 x 10-4 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.9 x 10-5 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 x 10-5 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.0 x 10-5 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.0 x 10-5 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.3 x 10-5 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 6.5 x 10-5 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.5 x 10-4 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.0 x 10-5 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 3.5 x 10-8 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.6 x 10-5 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.2 x 10-6 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.4 x 10-7 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.5 x 10-8 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.6 x 10-8 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.5 x 10-8 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.5 x 10-8 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.9 x 10-8 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.6 x 10-8 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.1 x 10-7 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 3.5 x 10-8 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 857.91 | ||
PKA | 9.16 ± 0.20 | 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 | Chanzo cha hali |
Eneo la uso wa polar | 184 A2 | (1) ACD |
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Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 18 | (1) ACD | |
Wapokeaji | 15 | (1) ACD | |
H wafadhili | 2 | (1) ACD | |
H wafadhili/jumla ya jumla | 17 | (1) ACD | |
Logp | 7.351 ± 0.713 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 857.91 |
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