C30H29FN2O7 mkojo, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'- fluoro- (9ci, ACI)
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 548.56 | - |
Hatua ya kuyeyuka (majaribio) | 118-120 ° C. | - |
Uzani (uliotabiriwa) | 1.38 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 9.39 ± 0.10 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical O = C1c = Cn (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2F
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (F) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = Cc = Cc = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C = C5 = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C =
Inchi
Inchi = 1S/C30H29FN2O7/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-27 (35) 28 (40- 28
-17-16-25 (34) 32-29 (33) 36/H3-17,24,26-28,35h, 18h2,1-2h3, (h, 32,34,36)/t24-, 26-, 27-, 28-/m1/s1
Ufunguo wa Inchi
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Jina lingine kwa dutu hii
5'-O- [BIS (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluorouridine (ACI)
Mali inapatikana
Mafuta
Mafuta
Mali | Thamani | Hali | Chanzo |
Hatua ya kuyeyuka | 118-120 ° C. | (1) CAS |
(1) Pnjarla, Srishylam; Nucleosides, Nucleotides & Asidi ya Nyuklia, (2018), 37 (4), 232-247, Caplus
Spectra inapatikana
1H NMR
13C NMR
Mali inapatikana |
Kibaolojia |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 3580 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3580 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3580 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3580 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3580 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3580 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3570 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3430 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2500 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 689 | pH 10; Temp: 25 ° c | (1) ACD |
.
Kemikali
Mali | Thamani | Hali | Chanzo |
KOC | 12200 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 12200 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 12200 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 12200 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 12200 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 12200 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 12100 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 11700 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 8480 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 2340 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 4.98 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 4.98 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 4.98 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 4.98 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 4.98 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 4.98 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 4.98 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 4.96 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 4.82 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 4.26 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 4.979 ± 0.563 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 9.9 x 10-5 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.9 x 10-5 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.9 x 10-5 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.9 x 10-5 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.9 x 10-5 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.9 x 10-5 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.9 x 10-5 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.9 x 10-5 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.9 x 10-5 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.4 x 10-4 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.0 x 10-4 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa wingi | 9.9 x 10-5 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 1.8 x 10-7 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.8 x 10-7 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.8 x 10-7 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.8 x 10-7 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.8 x 10-7 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.8 x 10-7 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.8 x 10-7 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.8 x 10-7 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.8 x 10-7 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.5 x 10-7 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 9.2 x 10-7 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.8 x 10-7 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 548.56 | ||
PKA | 9.39 ± 0.10 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
.
Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.38 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 395.8 ± 5.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 10 | (1) ACD | |
Wapokeaji | 9 | (1) ACD | |
H wafadhili | 2 | (1) ACD | |
H wafadhili/jumla ya jumla | 11 | (1) ACD | |
Logp | 4.979 ± 0.563 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 548.56 |
.
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 107 A2 | (1) ACD |
.
Spectra inapatikana
1H NMR
13C NMR