C36H39N5O8 guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl- N- (2-methyl-1-oxopropyl)-(9ci, ACI)
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 669.72 | - |
Uzani (uliotabiriwa) | 1.35 ± 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) C3OC
Tabasamu za Isomeric
C (OC [C@H] 1O [C@H] ([C@H] (OC) [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 (C)
= CC = C6
Inchi
Inchi = 1S/C36H39N5O8/C1-21 (2) 32 (43) 39-35-38-31-28 (33 (44) 40-35) 37-20-41 (31) 34-30 (47-5) 29 (42) 27 (49-3-48 (22-36-28-28-28-28-28-28-28-28-28-28-4-28-28-28-28-28-28-28-28-28-28-28-28-28-28-28-28-8-28-28-28-28 ( 2,23-11-15-25 (45-3) 16-12-23) 24-13-17-26 (46-4) 18-14-24/H6-18,20-21,27,29-30,34,42h, 19h2,1-5h3, (H2,38,39,43-44,/22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22-7,44,44, 22,44,44,
-/m1/s1
Ufunguo wa Inchi
IsqlJogrnuqHJX-wifiacmtsa-n
1 Jina lingine kwa dutu hii
5'-O- [BIS (4-methoxyphenyl) phenylmethyl] -2'-O-methyl-N- (2-methyl-1-oxopropyl) guanosine (ACI)
Mali inapatikana |
Kibaolojia |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 797 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2030 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2400 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2450 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2450 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2450 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2420 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2170 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1070 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 195 | pH 10; Temp: 25 ° c | (1) ACD |
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Kemikali
Mali | Thamani | Hali | Chanzo |
KOC | 3020 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 7680 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 9100 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 9270 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 9290 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 9280 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 9170 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 8220 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 4050 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 737 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 4.27 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 4.68 | pH 2; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
logi | 4.75 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 4.76 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 4.76 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 4.76 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 4.76 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 4.71 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 4.40 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 3.66 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 4.763 ± 0.722 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 3.1 x 10-4 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.4 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 | 3.1 x 10-4 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 x 10-4 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 x 10-4 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 x 10-4 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 x 10-4 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.5 x 10-4 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 7.4 x 10-4 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.9 x 10-3 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 x 10-4 g/l | Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 4.6 x 10-7 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.4 x 10-6 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.5 x 10-7 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.7 x 10-7 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.6 x 10-7 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.6 x 10-7 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.6 x 10-7 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.6 x 10-7 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.2 x 10-7 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.1 x 10-6 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.8 x 10-6 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 4.6 x 10-7 mol/l | Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 669.72 | ||
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 |
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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 | 494.4 ± 7.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 12 | (1) ACD | |
Wapokeaji | 13 | (1) ACD | |
H wafadhili | 3 | (1) ACD | |
H wafadhili/jumla ya jumla | 16 | (1) ACD | |
Logp | 4.763 ± 0.722 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 669.72 |
.
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