C31H32N2O8 mkojo, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl- (9c I, ACI)
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 560.60 | - |
Uzani (uliotabiriwa) | 1.35 ± 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) C2OC
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = 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 = C5 = C = C5 = C5 = C5 = C = C5 = C = C5 = C = C5 = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C = C5 = C = C5 = C =
Inchi
Inchi = 1S/C31H32N2O8/C1-37-23-13-9-21 (10-14-23) 31 (20-7-5-4-6-8-20,22-11-15-24 (38-2) 16-12-22) 40-19-25-27 (35) (39-3)
33-18-17-26 (34) 32-30 (33) 36/H4-18,25,27-29,35h, 19h2,1-3h3, (h, 32,34,36)/t25-, 27-, 28-, 29-/m1/s1
Ufunguo wa Inchi
Mfdhavfjdsrpkc-yxinzvnlsa-n
Majina mengine 2 kwa dutu hii
5'-O- [BIS (4-methoxyphenyl) phenylmethyl] -2'-O-methyluridine (ACI); 5'-O- (4,4'-dimethoxytrityl) -2'-O-methyluridine
Spectra inapatikana
1H NMR
Misa
Mali inapatikana |
Kibaolojia |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 1240 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1240 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1240 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1240 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1240 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1240 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1230 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1190 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 861 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 238 | pH 10; Temp: 25 ° c | (1) ACD |
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Kemikali
Mali | Thamani | Hali | Chanzo |
KOC | 5690 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 5690 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 5690 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 5690 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 5690 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 5690 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 5670 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 5450 | pH 8; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
KOC | 3960 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 1100 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 4.37 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 4.37 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 4.37 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 4.37 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 4.37 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 4.37 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 4.37 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 4.35 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 4.21 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 3.66 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 4.372 ± 0.582 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 3.7 x 10-4 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.7 x 10-4 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.7 x 10-4 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.7 x 10-4 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.7 x 10-4 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.7 x 10-4 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.7 x 10-4 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.7 x 10-4 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.8 x 10-4 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.3 x 10-4 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.9 x 10-3 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.7 x 10-4 g/l | Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 6.6 x 10-7 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.8 x 10-7 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 9.4 x 10-7 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.4 x 10-6 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.6 x 10-7 mol/l | Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 560.60 | ||
PKA | 9.39 ± 0.10 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
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Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 412.9 ± 5.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
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Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 11 | (1) ACD | |
Wapokeaji | 10 | (1) ACD | |
H wafadhili | 2 | (1) ACD | |
H wafadhili/jumla ya jumla | 12 | (1) ACD | |
Logp | 4.372 ± 0.582 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 560.60 |
.
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 116 A2 | (1) ACD |
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Spectra inapatikana
1H NMR
13C NMR