![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′- [2-cyanoethyl N, N-bis (1-methylethyl) fosfoor amidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′- [2-cyanoethyl N, N-bis(1-methylethyl) fosfoor amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P.png)
C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′- [2-cyanoethyl N, N-bis (1-methylethyl) fosfoor amidite] (ACI)
Lambarka Diiwaanka CAS
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 887.96 | - |
| pKa (La saadaaliyay) | 7.87±0.43 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
N#CCCOP(OC1C(OC(N2C= NC=3C(=NC= NC32)NC(=O)C=4C=CC=CC4)C1OC)COC(C=5C=CC=CC5)
Dhoola-caddeyn
C C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChi
InChi= 1S/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7)54-31-52-41-44(51-345) 6)34-15-10-8-11-16-34)29-60-48(35-17-12-9-13-18-35,36-19-23-38 (57-5)24-20-36)37-21-25-39(58-6)26-22-37/h8-13,15-26,30-33,40,4 2-43,47H,14,28-29H2,1-7H3,(H,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1
Furaha InChi
AZCGOTUYEPXHMJ-PSVHYZMASA-N
2 Magacyo kale oo Walaxdan ah
Adenosin,N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) fosphoramite] (9CI); 5′-O-(4,4′-dimetoxytrityl)-N6-benzoyl-2′-O-methyladenosine 3′- (2-cyanoethylN,N-diisopropylphosphoramidite)
Spectra waa la heli karaa
13 C NMR
Hetero NMR
Mass
Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 4050 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.08 x 105 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.00 x 106 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2.10 x 105 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 60800 | 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 | 1830kii | pH 1; Heerkulka: 25 °C | (1) ACD |
| Koc | 48700 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Koc | 4.91 x 105 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.52 x 106 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.90 x 106 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.91 x 106 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Koc | 1.57 x 106 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 5.78 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Koc | 95000 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Koc | 27500 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logD | 6.01 | pH 1; Heerkulka: 25 °C | (1) ACD |
| logD | 7.43 | pH 2; Heerkulka: 25 °C | (1) ACD |
| logD | 8.44 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | 8.93 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | 9.02 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | 9.02 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | 8.94 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | 8.51 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | 7.72 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | 7.18 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | 9.038± 0.723 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 1.4 x 10-5 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.014 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.3 x 10-4 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.3 x 10-5 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-5 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.3 x 10-5 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.3 x 10-5 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-5 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.5 x 10-5 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 2.8 x 10-4 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 9.8 x 10-4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.7 x 10-5 g/L | Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 1.6 x 10-8 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-5 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.0 x 10-7 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.0 x 10-8 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.9 x 10-8 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.5 x 10-8 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 1.5 x 10-8 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.9 x 10-8 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 5.1 x 10-8 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.1 x 10-7 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.9 x 10-8 mol/L | Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 887.96 | ||
| pKa | 7.87±0.43 | 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 | 19 | (1) ACD | |
| H Aqbalayaasha | 15 | (1) ACD | |
| H Deeq-bixiyayaasha | 1 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 16 | (1) ACD | |
| logP | 9.038± 0.723 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 887.96 |
(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 | 178 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
| Koodhka | Bayaanka Khatarta | Xigasho |
| H335 | Waxa laga yaabaa inay keento cuncun xagga neefsiga ah | Khabiir ayaa la qiimeeyay |
| Koodhka | Bayaanka Khatarta | Xigasho |
| H331 | Sun haddii la nuugo | Khabiir ayaa la qiimeeyay |
| H319 | Waxay keentaa cuncun indhaha oo halis ah | Khabiir ayaa la qiimeeyay |
| H315 | Waxay sababtaa cuncun maqaarka | Khabiir ayaa la qiimeeyay |
| H311 | Sunta maqaarka la taabto | Khabiir ayaa la qiimeeyay |
| H301+H311+H331 | Sun ah haddii la liqo, maqaarka taabto ama la nuugo | Khabiir ayaa la qiimeeyay |
| H301 | Sun ah haddii la liqo | Khabiir ayaa la qiimeeyay |
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