C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-methylethyl)phosphoramidite] (ACI)
Nambari ya Usajili ya CAS
251647-55-9
H302
Sifa Muhimu za Kimwili | Thamani | Hali |
Uzito wa Masi | 914.00 | - |
pKa (Iliyotabiriwa) | 9.16±0.20 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kikanuni
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(OC)C=C6) N(C(C)C)C(C)C
Isomeric TABASAMU
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=CC=C (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
17 Majina Mengine ya Dawa 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: Mlolongo 20 unaodaiwa; 18: PN: US20030211606 UKURASA: 20
mlolongo unaodaiwa; 19: PN: US20040005569 UKURASA: 22 mlolongo unaodaiwa; 21: PN: US20040006030 UKURASA: 23 mlolongo unaodaiwa; 21: PN: US20040014047 UKURASA: 21 mlolongo unaodaiwa; 21: PN: US20040014049 UKURASA: 21 mlolongo unaodaiwa; 22: PN: US20030198965 PAG
E: mlolongo 20 unaodaiwa; 22: PN: US20040005570 UKURASA: 21 mlolongo unaodaiwa; 22: PN: US20040014048 UKURASA: 21 mlolongo unaodaiwa;
22: PN: US20040014050 UKURASA: 21 mlolongo unaodaiwa; 23: PN: US20040005565 UKURASA: 17- 22 mlolongo unaodaiwa; 23: PN: US20040
014051 UKURASA: 23 mlolongo unaodaiwa; 24: PN: US20040014699 UKURASA: 21 mlolongo unaodaiwa; 25: PN: US20040006029 UKURASA: 23 mlolongo unaodaiwa; 25: PN: WO03106645 UKURASA: 73 mlolongo unaodaiwa; 96: PN: US20040005707 UKURASA: 21 mlolongo unaodaiwa
Spectra inapatikana
13 C NMR
Hetero NMR
Mali zinazopatikana
Kibiolojia
Kemikali
Lipinski
Kuhusiana na Muundo
Mali | Thamani | Hali | Chanzo |
Kipengele cha Mkusanyiko wa Kibiolojia | 121 | pH 1; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 2580 | pH 2; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 23500 | pH 3; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 71800 | pH 4; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 89800 | pH 5; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 92100 | pH 6; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 91300 | pH 7; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 82500 | pH 8; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 42200 | pH 9; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 7860 | pH 10; Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Koc | 164 | pH 1; Joto: 25 °C | (1) ACD |
Koc | 3480 | pH 2; Joto: 25 °C | (1) ACD |
Koc | 31700 | pH 3; Joto: 25 °C | (1) ACD |
Koc | 96900 | pH 4; Joto: 25 °C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Koc | 1.24 x 105 | pH 6; Joto: 25 °C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Joto: 25 °C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Joto: 25 °C | (1) ACD |
Koc | 56900 | pH 9; Joto: 25 °C | (1) ACD |
Koc | 10600 | pH 10; Joto: 25 °C | (1) ACD |
logD | 3.95 | pH 1; Joto: 25 °C | (1) ACD |
logD | 5.28 | pH 2; Joto: 25 °C | (1) ACD |
logD | 6.24 | pH 3; Joto: 25 °C | (1) ACD |
logD | 6.73 | pH 4; Joto: 25 °C | (1) ACD |
logD | 6.82 | pH 5; Joto: 25 °C | (1) ACD |
logD | 6.83 | pH 6; Joto: 25 °C | (1) ACD |
logD | 6.83 | pH 7; Joto: 25 °C | (1) ACD |
logD | 6.79 | pH 8; Joto: 25 °C | (1) ACD |
logD | 6.50 | pH 9; Joto: 25 °C | (1) ACD |
logD | 5.77 | pH 10; Joto: 25 °C | (1) ACD |
logP | 6.837±0.764 | Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Misa | 4.4 x 10-4 g/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 0.34 g/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 0.016 g/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.7 x 10-3 g/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.7 x 10-4 g/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.6 x 10-4 g/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.4 x 10-4 g/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.5 x 10-4 g/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.9 x 10-4 g/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.0 x 10-3 g/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.2 x 10-3 g/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.5 x 10-4 g/L | Maji yasio na buffered pH 6.99; Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Molar | 4.8 x 10-7 mol/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 3.7 x 10-4 mol/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.7 x 10-5 mol/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.9 x 10-6 mol/L | pH 3; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa Molar | 6.2 x 10-7 mol/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.0 x 10-7 mol/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 4.8 x 10-7 mol/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 4.9 x 10-7 mol/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.4 x 10-7 mol/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.1 x 10-6 mol/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 5.7 x 10-6 mol/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 4.9 x 10-7 mol/L | Maji yasio na buffered pH 6.99; Joto: 25 °C | (1) ACD |
Uzito wa Masi | 914.00 | ||
pKa | 9.16±0.20 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Joto la Msingi Zaidi: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Vifungo vinavyoweza kuzungushwa kwa Uhuru | 22 | (1) ACD | |
H Wapokeaji | 17 | (1) ACD | |
H Wafadhili | 2 | (1) ACD | |
H Jumla ya Mfadhili/Mpokeaji | 19 | (1) ACD | |
logP | 6.837±0.764 | Joto: 25 °C | (1) ACD |
Uzito wa Masi | 914.00 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Chanzo cha Hali |
Eneo la Uso wa Polar | 203 A2 | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1 H NMR
13 C NMR
Chanzo cha Taarifa ya Hatari ya Kanuni | |
H302 Inadhuru ikiwa imemeza | Uainishaji na Uwekaji Lebo kwa Wakala wa Kemikali wa Ulaya (ECHA). Malipo - Uainishaji ulioarifiwa na uwekaji lebo - arifa za kawaida zaidi, Wakala wa Kemikali wa Ulaya (ECHA) Uainishaji&Uwekaji Lebo - Uainishaji ulioarifiwa na uwekaji lebo - arifa muhimu zaidi |