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)
Lambarka Diiwaanka CAS
251647-55-9
H302
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 914.00 | - |
pKa (La saadaaliyay) | 9.16±0.20 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC(C=4C=CC=CC4) =C(OC)C=C5)C6=CC=C(OC)C=C6) N(C(C)C)C(C)C
Dhoola-caddeyn
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
Furaha InChi
LADCDGNEBIQAAU-SBCRAQIVSA-N
17 Magacyo kale oo Walaxdan ah
Guanosin, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O(2-methoxyethyl)N-(2-methyl-1-oxopropyl) -, 3′- [2-cyanoethyl bis (1- methylethyl) fosphoramite] (9CI); 17: PN: US20030212017 PAGE: 20 oo la sheegayo isku xigxig; 18: PN: US20030211606 PAGE: 20
isku xigxiga sheegtey; 19: PN: US20040005569 PAGE: 22 oo la sheegayo isku xigxig; 21: PN: US20040006030 PAGE: 23 isku xigxiga sheegtay; 21: PN: US20040014047 BOGGA: 21 sheegashada isku xigxiga; 21: PN: US20040014049 BOGGA: 21 sheegashada isku xigxiga; 22: PN: US20030198965 PAG
E: 20 isku xig xiga; 22: PN: US20040005570 BOGGA: 21 sheegashada isku xigxiga; 22: PN: US20040014048 BOGGA: 21 isku xigxiga sheegtay;
22: PN: US20040014050 PAGE: 21 sheegashada isku xigxiga; 23: PN: US20040005565 BOGGA: 17- 22 sheegashada isku xigxiga; 23: PN: US20040
014051 BOGGA: 23 sheegashada isku xigxiga; 24: PN: US20040014699 BOGGA: 21 sheegashada isku xigxiga; 25: PN: US20040006029 PAGE: 23 isku xigxiga sheegtay; 25: PN: WO03106645 BOGGA: 73 sheegasho isku xigxig; 96: PN: US20040005707 PAGE: 21 isku xigxiga sheegtay
Spectra waa la heli karaa
13 C NMR
Hetero NMR
Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 121 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2580 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 23500 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 71800 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 89800 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 92100 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 91300 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 82500 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 42200 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 7860 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 164 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 3480 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 31700 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 96900 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 1.21 x 105 | pH 5; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 1.24 x 105 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 1.23 x 105 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 1.11 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 56900 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 10600 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | 3.95 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 5.28 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | 6.24 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 6.73 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 6.82 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 6.83 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 6.83 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 6.79 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 6.50 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 5.77 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 6.837± 0.764 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 4.4 x 10-4 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.34 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.016 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.7 x 10-3 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.7 x 10-4 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.6 x 10-4 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.4 x 10-4 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.5 x 10-4 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.9 x 10-4 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.0 x 10-3 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.2 x 10-3 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.5 x 10-4 g/L | Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 4.8 x 10-7 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.7 x 10-4 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.7 x 10-5 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.9 x 10-6 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 6.2 x 10-7 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.0 x 10-7 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 4.8 x 10-7 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 4.9 x 10-7 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.4 x 10-7 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.1 x 10-6 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.7 x 10-6 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 4.9 x 10-7 mol/L | Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 914.00 | ||
pKa | 9.16±0.20 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | 3.45 ± 0.70 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 22 | (1) ACD | |
H Aqbalayaasha | 17 | (1) ACD | |
H Deeq-bixiyayaasha | 2 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 19 | (1) ACD | |
logP | 6.837± 0.764 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 914.00 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Isha Xaaladda |
Aagga dusha sare ee Polar | 203 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1 H NMR
13 C NMR
Isha Bayaanka Khatarta Koodhka | |
H302 Waxyeelo ayay leedahay haddii la liqo | Kala soocidda & calaamadaynta Wakaaladda Kiimikada Yurub (ECHA). Inventory - Kala soocida la ogeysiiyay iyo calaamadaynta - ogeysiisyada ugu caansan, Wakaaladda Kiimikada Yurub (ECHA) Kala-saarid&Alaab-qoritaan - Kala saarid la ogeysiiyay iyo calaamadeynta - ogeysiisyada ugu daran |