C47H60N7O10P Guanosine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2- methoxyethyl) -n- (2-methyl-1-oxopropyl)-3 i-[2-cynoethyl N, N-bis (1-methylethyl)-phosphosyl)-3 ′-[2-cyanoethyl N, N-bis (1-methylethyl)-3-cy-cyanoethyl N, N-bis (1-methylethyl)
Nambari ya Usajili wa CAS
251647-55-9
H302
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 914.00 | - |
PKA (alitabiri) | 9.16 ± 0.20 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical
N#CCCOP (OC1C (OC (N2C = NC = 3C (= O) N = C (NC (= O) C (C) C) NC32) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (C6 C6) C (C) C (C) C = C) C6 C6 (C) C = C) C = C6 C6) C = C) C = C) C6 C6 (C6) 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) N2C3 = C (N = C2) C (= O) N = C (NC (C (C) C) = O) N3) (C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = c4 = (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6
Inchi
InChI= 1S/C47H60N7O10P/c1-30(2)43(55)51-46-50-42-39(44(56)52-46)49-29-53(42)45-41(60-27-26-57-7)40(64-65(62-25-13-24-48)54( 31(3)4)32(5)6)38(63-45)28-61-47(33-14-11-10-12-15-33,34-16-20-36(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10-12,14-23,29-32,38 , 40-41,45h, 13,25-28H2,1-9H3, (H2,50,51,52,55,56)/T38-, 40-, 41-, 45-, 65?/M1/S1
Ufunguo wa Inchi
Ladcdgnebiqaau-sbcraqivsa-n
Majina mengine 17 kwa dutu hii
Guanosine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′--O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl bis (1- methylethyl) phosphoramidite] (9ci); 17: PN: US20030212017 Ukurasa: 20 Mlolongo uliodaiwa; 18: PN: US20030211606 Ukurasa: 20
mlolongo uliodaiwa; 19: PN: US20040005569 Ukurasa: 22 mlolongo uliodaiwa; 21: PN: US20040006030 Ukurasa: 23 mlolongo uliodaiwa; 21: PN: US20040014047 Ukurasa: 21 Mlolongo uliodaiwa; 21: PN: US20040014049 Ukurasa: 21 Mlolongo uliodaiwa; 22: PN: US20030198965 PAG
E: 20 iliyodaiwa mlolongo; 22: PN: US20040005570 Ukurasa: 21 mlolongo uliodaiwa; 22: PN: US20040014048 Ukurasa: 21 Mlolongo uliodaiwa;
22: PN: US20040014050 Ukurasa: 21 mlolongo uliodaiwa; 23: PN: US20040005565 Ukurasa: 17- 22 Mlolongo uliodaiwa; 23: PN: US20040
014051 Ukurasa: 23 mlolongo uliodaiwa; 24: PN: US20040014699 Ukurasa: 21 Mlolongo uliodaiwa; 25: PN: US20040006029 Ukurasa: 23 mlolongo uliodaiwa; 25: PN: WO03106645 Ukurasa: 73 Mlolongo uliodaiwa; 96: PN: US20040005707 Ukurasa: 21 Mlolongo uliodaiwa
Spectra inapatikana
13 C NMR
Hetero nmr
Mali inapatikana
Kibaolojia
Kemikali
Lipinski
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 121 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2580 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 23500 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 71800 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 89800 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 92100 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 91300 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 82500 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 42200 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 7860 | pH 10; Temp: 25 ° c | (1) ACD |
.
Mali | Thamani | Hali | Chanzo |
KOC | 164 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 3480 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 31700 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 96900 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 1.21 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
KOC | 1.24 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 1.23 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 1.11 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 56900 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 10600 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 3.95 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 5.28 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 6.24 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 6.73 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 6.82 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 6.83 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 6.83 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 6.79 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 6.50 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 5.77 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 6.837 ± 0.764 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 4.4 x 10-4 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.34 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.016 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.7 x 10-3 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.7 x 10-4 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.6 x 10-4 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.4 x 10-4 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.5 x 10-4 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.9 x 10-4 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.0 x 10-3 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.2 x 10-3 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.5 x 10-4 g/l | Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 4.8 x 10-7 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.7 x 10-4 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.7 x 10-5 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.9 x 10-6 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 6.2 x 10-7 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.0 x 10-7 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.8 x 10-7 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.9 x 10-7 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.4 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 | 5.7 x 10-6 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.9 x 10-7 mol/l | Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 914.00 | ||
PKA | 9.16 ± 0.20 | 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 | 17 | (1) ACD | |
H wafadhili | 2 | (1) ACD | |
H wafadhili/jumla ya jumla | 19 | (1) ACD | |
Logp | 6.837 ± 0.764 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 914.00 |
.
Mali | Thamani | Chanzo cha hali |
Eneo la uso wa polar | 203 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 |