C50H58N7O9P adenosine, n-benzoyl-5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-O- (2-methoxyethyl)-, 3 ′-[2-cyanoethyl N, N-BIS (1-metheylethyl) phosphoritite] (2-cyanoethyl N, N-BIS (1-metheylethyl) phosphoritite] (2-cyanoethyl N, N-BIS (1-metheylethyl) phosphoritide] (2-cyanoethyl N, N-BIS (1-metheylethyl) phosphoritite] (2-cyanoethyl N, N-BA
Nambari ya Usajili wa CAS
251647-53-7
H302
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 932.01 | - |
PKA (alitabiri) | 7.87 ± 0.43 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical
N#CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1OCCOC) COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) C7 = C = C)
Tabasamu za Isomeric
C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (Occoc) [C @@ H] (O1) N2C = 3C (n = C2) = C (NC (= O) C4 = CC = CC = C4) n = C2) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Inchi
Inchi = 1S/C50H58N7O9P/C1-34 (2) 57 (35 (3) 4) 67 (64-28-14-27-51) 66-44-42 (31-63-50 (37-17-12-9-13-37,38-19-23-4 (60-16-9-13-37,38 9-21-25-41 (61-7) 26-22-39) 65-49 (45 (44) 62-30-29-59-5) 56-33-54-43-46 (52-32-53-47 (43) 56) 55-48 (58) 36-15-15-15-15-15-15-15-15-15-18 32-35,42,44-45,49h, 14,28-31h2,1-7h3, (h, 52,53,55,58)/t42-, 44-, 45-, 49-, 67?/M1/s1
Ufunguo wa Inchi
Vpbybqbhlyrlhg-hdmawcrfsa-n
Majina mengine 16 kwa dutu hii
Adenosine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′--O-(2-methoxyethyl)-, 3 ′-[2-cyanoethyl bis (1-methylethyl)
phosphoramidite] (9ci); 16: PN: US20030211606 Ukurasa: 19 Mlolongo uliodaiwa; 16: PN: US20030212017 Ukurasa: 20 mlolongo uliodaiwa; 17: PN: US20040005569 Ukurasa: 22 mlolongo uliodaiwa; 19: PN: US20040006030 Ukurasa: 23 mlolongo uliodaiwa; 19: PN: US20040014047
Ukurasa: 21 Mlolongo uliodaiwa; 19: PN: US20040014049 Ukurasa: 21 Mlolongo uliodaiwa; 20: PN: US20040005570 Ukurasa: 20 walidai
mlolongo; 20: PN: US20040014048 Ukurasa: 21 Mlolongo uliodaiwa; 20: PN: US20040014050 Ukurasa: 20 mlolongo uliodaiwa; 21: PN: u
S20040005565 Ukurasa: 17- 22 Mlolongo uliodaiwa; 21: PN: US20040014051 Ukurasa: 23 mlolongo uliodaiwa; 22: PN: US20040014699 Ukurasa: 20 mlolongo uliodaiwa; 23: PN: US20040006029 Ukurasa: 23 mlolongo uliodaiwa; 23: PN: WO03106645 Ukurasa: 73 Mlolongo uliodaiwa; 94: P N: US20040005707 Ukurasa: 20 mlolongo uliodaiwa
Spectra inapatikana
1 H NMR
13 C NMR
Hetero nmr
Mali inapatikana
Kibaolojia
Kemikali
Lipinski
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 2680 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 71500 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 7.21 x 105 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.00 x 106 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.00 x 106 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.00 x 106 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.00 x 106 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 8.48 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.39 x 105 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 40300 | pH 10; Temp: 25 ° c | (1) ACD |
.
Mali | Thamani | Hali | Chanzo |
KOC | 1360 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 36300 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 3.66 x 105 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 1.13 x 106 | pH 4; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
KOC | 1.42 x 106 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 1.42 x 106 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 1.17 x 106 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 4.30 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 70800 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 20500 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 5.77 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 7.20 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 8.20 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 8.69 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 8.79 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 8.79 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 8.71 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 8.27 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 7.49 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 6.95 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 8.803 ± 0.766 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 5.4 x 10-5 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.051 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.9 x 10-3 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.9 x 10-4 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 6.0 x 10-5 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.8 x 10-5 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.8 x 10-5 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.8 x 10-5 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.6 x 10-4 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 9.3 x 10-4 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-3 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.7 x 10-5 g/l | Maji yasiyokuwa na maji pH 6.97; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 5.8 x 10-8 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.5 x 10-5 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.0 x 10-6 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 2.0 x 10-7 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.4 x 10-8 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.1 x 10-8 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.1 x 10-8 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.2 x 10-8 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.7 x 10-7 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.0 x 10-6 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.9 x 10-6 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.1 x 10-8 mol/l | Maji yasiyokuwa na maji pH 6.97; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 932.01 | ||
PKA | 7.87 ± 0.43 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | 3.45 ± 0.70 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
.
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 22 | (1) ACD | |
Wapokeaji | 16 | (1) ACD | |
H wafadhili | 1 | (1) ACD | |
H wafadhili/jumla ya jumla | 17 | (1) ACD | |
Logp | 8.803 ± 0.766 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 932.01 |
.
Mali | Thamani | Chanzo cha hali |
Eneo la uso wa polar | 187 A2 | (1) ACD |
.
Spectra inapatikana
1 H NMR
13 C NMR
Chanzo cha Taarifa ya Hatari ya Msimbo | |
H302 inadhuru ikiwa imemezwa | Uainishaji wa Wakala wa Kemikali wa Ulaya (ECHA) na uandishi Uainishaji - Uainishaji ulioarifiwa na Uandishi - Arifa za Kawaida, Wakala wa Kemikali wa Ulaya (ECHA) Uainishaji na Uainishaji wa Uainishaji - Uainishaji ulioarifiwa na Uandishi - Arifa kubwa zaidi |