C41H51N5O8si guanosine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1- dimethylethyl) dimethylsilyl] -n- (2-methyl-1-oxopropyl)-(9ci, ACI)
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 769.96 | - |
Uzani (uliotabiriwa) | 1.25 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 9.16 ± 0.20 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3O [SI) (C) C3O [C) (C) C3O [C) (C) C3O
Tabasamu za Isomeric
C (oc [c@h] 1o [c@h] ([c@h] (o [si] (c (c) (c) c) (c) c) [c @@ h] 1o) n2c3 = c (n = c2) c ( = O) n = c (nc (c (c) c) = o) n3) (c4 = cc = c (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1S/C41H51N5O8Si/C1-25 (2) 36 (48) 44-39-43-35-32 (37 (49) 45-39 ) 42-24-46 (35) 38-34 (54-55 (8,9) 40 (3,4) 5) 33 (47) 31 (53-38) 23-52-41 (2 6-13-11-10-12-14-26,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 22-18-28/H10-22,24-25,31,33-34,38,47h, 23h2,1-9h3, H2,43,43,43,43, H2,43,43
48,49)/T31-, 33-, 34-, 38-/m1/s1
Ufunguo wa Inchi
Jmcnkjfoijgyrg-cjegosrcsa-n
1 Jina lingine kwa dutu hii
5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1-dimethylethyl) dimethylsilyl] -n- (2-methyl-1-oxopropyl) guanosine (ACI)
Spectra inapatikana
1H NMR
13C NMR
Misa
Mali inapatikana |
Kibaolojia |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 1.38 x 105 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3.53 x 105 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 4.18 x 105 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 4.26 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 4.26 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 4.26 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 4.21 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 3.77 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.86 x 105 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 33800 | pH 10; Temp: 25 ° c | (1) ACD |
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Kemikali
Mali | Thamani | Hali | Chanzo |
KOC | 1.21 x 105 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 3.08 x 105 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 3.65 x 105 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 3.72 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 3.73 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 3.72 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 3.68 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
KOC | 3.30 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 1.62 x 105 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 29600 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 7.22 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 7.63 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 7.70 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 7.71 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 7.71 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 7.71 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 7.70 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 7.66 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 7.35 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 6.61 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 7.710 ± 0.709 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 2.7 x 10-5 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 8.5 x 10-5 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.3 x 10-5 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.8 x 10-5 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.7 x 10-5 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.7 x 10-5 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.7 x 10-5 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.8 x 10-5 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 x 10-5 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 6.2 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 | 2.8 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 | 1.1 x 10-7 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.3 x 10-8 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.6 x 10-8 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.5 x 10-8 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.5 x 10-8 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 3.5 x 10-8 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.6 x 10-8 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.0 x 10-8 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.1 x 10-8 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.5 x 10-7 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.6 x 10-8 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 769.96 | ||
PKA | 9.16 ± 0.20 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | 1.73 ± 0.10 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
.
Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.25 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 615.5 ± 7.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 14 | (1) ACD | |
Wapokeaji | 13 | (1) ACD | |
H wafadhili | 3 | (1) ACD | |
H wafadhili/jumla ya jumla | 16 | (1) ACD | |
Logp | 7.710 ± 0.709 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 769.96 |
.
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 155 A2 | (1) ACD |
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Spectra inapatikana
1H NMR
13C NMR