C41H41N5O8 adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O- (2-methoxyethyl)-(9ci, ACI)
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 731.79 | - |
Hatua ya kuyeyuka (majaribio) | 119-121 ° C. | - |
Uzani (uliotabiriwa) | 1.31 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 7.87 ± 0.43 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OCCOC) C = 7C = CC7
Tabasamu za Isomeric
C (oc [c@h] 1o [c@h] ([c@h] (occoc) [c @@ h] 1o) n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = c4) n = cn3) (c5 = cc = c (oc) c = c5) (c6 = cc = c
= C6) C7 = CC = CC = C7
Inchi
Inchi = 1S/C41H41N5O8/C1-49-22-23-52-36-35 (47) 33 (54-40 (36) 46-26-44-34-37 (42-25-43-38 (34) 46) 45-3-7) 27-27-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7- 27-6-7. 41 (28-12-8-5-9-13-28,29-14-18-31 (50-2) 19-15-29) 30-16-20-32 (51-3) 21-17-30/H4-21,25-26,33,35-36,40,47h, 22-242 ,1-3, (H, 42,43,45,48)/T33-, 35-, 36-, 40-/m1/s1
Ufunguo wa Inchi
Kevmxgndkpsmc-mumpvvmasa-n
Majina mengine 16 kwa dutu hii
N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) adenosine (ACI); 17: PN: US20030211606 Ukurasa: 19 Mlolongo uliodaiwa; 18: PN: US20040005569 Ukurasa: 22 mlolongo uliodaiwa; 20: PN: US20040006030 Ukurasa: 23 mlolongo uliodaiwa; 20: PN: US20040014047 Ukurasa: 21 Mlolongo uliodaiwa; 20: PN: US20040014049 Ukurasa: 21 Mlolongo uliodaiwa; 21: PN: US20040005570 PAG
E: 20 iliyodaiwa mlolongo; 21: PN: US20040014048 Ukurasa: 21 Mlolongo uliodaiwa; 21: PN: US20040014050 Ukurasa: 20 mlolongo uliodaiwa; 22: PN: US20040005565 Ukurasa: 17- 22 Mlolongo uliodaiwa; 22: PN: US20040014051 Ukurasa: 23 mlolongo uliodaiwa; 23: PN: US20040 014699 Ukurasa: 20 Mlolongo uliodaiwa; 24: PN: US20040006029 Ukurasa: 23 mlolongo uliodaiwa; 24: PN: WO03106645 Ukurasa: 73 Mlolongo uliodaiwa; 5'-dimethoxytrityl-2'-o- (2-methoxyethyl) -N6-benzoyl adenosine; 95: PN: US20040005707 Ukurasa: 20 mlolongo uliodaiwa
Mali inapatikana |
Mafuta |
Mafuta
Mali | Thamani | Hali | Chanzo |
Hatua ya kuyeyuka | 119-121 ° 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 | 31700 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.08 x 105 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.43 x 105 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.48 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.48 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.45 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.19 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 43000 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 7050 | pH 9; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 2060 | pH 10; Temp: 25 ° c | (1) ACD |
.
Kemikali
Mali | Thamani | Hali | Chanzo |
KOC | 37400 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 1.28 x 105 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 1.69 x 105 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 1.74 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 1.74 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 1.71 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 1.40 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 50700 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 8320 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 2430 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 6.44 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 6.97 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 7.09 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 7.11 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 7.11 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 7.10 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 7.01 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 6.57 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 5.78 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 5.25 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 7.109 ± 0.766 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 5.6 x 10-6 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.6 x 10-5 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 7.3 x 10-6 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.8 x 10-6 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.6 x 10-6 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.6 x 10-6 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.7 x 10-6 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 7.0 x 10-6 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa wingi | 1.9 x 10-5 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.2 x 10-4 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.0 x 10-4 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 7.0 x 10-6 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 7.6 x 10-9 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.6 x 10-8 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.0 x 10-8 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.9 x 10-9 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.7 x 10-9 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.7 x 10-9 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.8 x 10-9 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 9.6 x 10-9 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.6 x 10-8 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.6 x 10-7 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.5 x 10-7 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 9.5 x 10-9 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 731.79 | ||
PKA | 7.87 ± 0.43 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | 1.39 ± 0.10 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
.
Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.31 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 556.9 ± 7.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 15 | (1) ACD | |
Wapokeaji | 13 | (1) ACD | |
H wafadhili | 2 | (1) ACD | |
H wafadhili/jumla ya jumla | 15 | (1) ACD | |
Mali | Thamani | Hali | Chanzo |
Logp | 7.109 ± 0.766 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 731.79 |
.
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 148 A2 | (1) ACD |
.
Spectra inapatikana
1H NMR
13C NMR