C43H5N4O10P Uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methox yethyl)-5-methyl-, 3 ′-[2-cyanoethyl N, N-bis (1-methylethyl) phosphordite] (2-cyanoethyl N, N-bis (1-methylethyl) phosphordide] (2-cyanoethyl N, N-bis (1-methylethyl) phosphordide] (2-cyanoethyl N, N-bis (1-methylethyl) phosphordide]
Nambari ya Usajili wa CAS
163878-63-5
H302
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 818.89 | - |
PKA (alitabiri) | 9.55 ± 0.10 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical
N#CCCOP (OC1C (OC (N2C = C (C (= O) NC2 = O) C) C1OCCOC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C (C) C) C (C) C (C) C (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 (= O) NC (= O) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4) (C = C4 = C (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1S/C43H55N4O10P/C1-29 (2) 47 (30 (3) 4) 58 (55-24-12-23-44) 57-38-37 (56-41 (39 (38) 53-25-50-50-6) 46-21 (48) 8-54-43 (32-13-10-9-11-14-32,33-15-19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34/H9-11,13-22,27,29-30,37-39, 12, 12,241, 122, 122, 122, 1242, 1242, 1242, 1242, 1242, 1242, 1242, 1242, 1242, 1242, 1242, 1242, 1242, 1242, 1-8H3, (H, 45,48,49)/T37-, 38-, 39-, 41-, 58?/M1/S1
Ufunguo wa Inchi
Yfrrkzdudxhjnc-kzqaakllsa-n
Majina mengine 17 kwa dutu hii
Uridine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′--O-(2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphor
amidite] (9ci); 10: PN: US20030212017 Ukurasa: 18 ilidai RNA; 11: PN: US20030211606 Ukurasa: 18 ilidai RNA; 13: PN: US20040
005569 Ukurasa: 21 alidai RNA; 13: PN: US20040006030 Ukurasa: 22 walidai RNA; 13: PN: US20040014048 Ukurasa: 19 alidai RNA; 13: PN: US20040014049 Ukurasa: 19 alidai RNA; 14: PN: US20030198965 Ukurasa: 19 alidai RNA; 14: PN: US20040005565 Ukurasa: 17- 22 walidai RNA; 14: PN: US20040005570 Ukurasa: 19 alidai RNA; 14: PN: US20040014047 Ukurasa: 19 alidai RNA; 14: PN: US20040
014699 Ukurasa: 19 alidai RNA; 15: PN: US20040014050 Ukurasa: 19 alidai RNA; 15: PN: US20040014051 Ukurasa: 21 walidai RNA; 15:
PN: WO03106645 Ukurasa: 69 alidai RNA; 16: PN: US20040006029 Ukurasa: 22 walidai RNA; 87: PN: US20040005707 Ukurasa: 19 alidai RNA
Spectra inapatikana
1 H NMR
13 C NMR
Hetero nmr
Mali inapatikana
Kibaolojia
Kemikali
Lipinski
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 348 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2810 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 21100 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 63100 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 78800 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 80800 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 80800 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 78800 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 63400 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 21800 | pH 10; Temp: 25 ° c | (1) ACD |
.
Mali | Thamani | Hali | Chanzo |
KOC | 487 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 3940 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 29600 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 88400 | pH 4; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
KOC | 1.10 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 1.13 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 1.13 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 1.10 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 88800 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 30600 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 4.39 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 5.30 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 6.18 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 6.65 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 6.75 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 6.76 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 6.76 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 6.75 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 6.65 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 6.19 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 6.761 ± 0.669 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 2.0 x 10-4 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.046 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.7 x 10-3 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 7.6 x 10-4 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.5 x 10-4 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.0 x 10-4 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.0 x 10-4 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.0 x 10-4 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.0 x 10-4 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.5 x 10-4 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 7.4 x 10-4 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 2.0 x 10-4 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 2.4 x 10-7 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.6 x 10-5 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.0 x 10-6 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 9.3 x 10-7 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.1 x 10-7 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.5 x 10-7 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.4 x 10-7 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.4 x 10-7 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.5 x 10-7 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.1 x 10-7 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 9.0 x 10-7 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.4 x 10-7 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 818.89 | ||
PKA | 9.55 ± 0.10 | 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 | 21 | (1) ACD | |
Wapokeaji | 14 | (1) ACD | |
H wafadhili | 1 | (1) ACD | |
H wafadhili/jumla ya jumla | 15 | (1) ACD | |
Logp | 6.761 ± 0.669 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 818.89 |
.
Mali | Thamani | Chanzo cha hali |
Eneo la uso wa polar | 164 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 |