![C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) -, 3′- [2-cyanoethyl N, N-bis (1-methylethyl). phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) -, 3′- [2-cyanoethyl N, N-bis (1-methylethyl). ) phosphoramite] (ACI) Sawirka sifaysan](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) -, 3′- [2-cyanoethyl N, N-bis (1-methylethyl). phosphoramidite] (ACI)
Lambarka Diiwaanka CAS
251647-53-7
H302
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 932.01 | - |
| 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)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C) (OC)C=C6)C7=CC=C(OC) C=C7)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)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC) =C(OC)C=C6)C7=CC=CC=C7
InChi
InChi= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-) 9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45) (44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11 -16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-, 44-,45-,49-,67?/m1/s1
Furaha InChi
VBYBQBHLYRLHG-HDMAWCRFSA-N
16 Magacyo kale oo Walaxdan ah
Adenosin,N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-(2-methoxyethyl)-, 3′- [2-cyanoethyl bis (1-methylethyl)
fosfooraska] (9CI);16: PN: US20030211606 BOGGA: 19 isku xigxiga sheegtay;16: PN: US20030212017 PAGE: 20 oo la sheegayo isku xigxig;17: PN: US20040005569 BOGGA: 22 oo la sheegayo isku xigxig;19: PN: US20040006030 PAGE: 23 isku xigxiga sheegtay;19: PN: US20040014047
BOG: 21 isku xigxiga sheegtey;19: PN: US20040014049 BOGGA: 21 sheegashada isku xigxiga;20: PN: US20040005570 PAGE: 20 sheegtay
isku xigxiga;20: PN: US20040014048 BOGGA: 21 sheegashada isku xigxiga;20: PN: US20040014050 PAGE: 20 isku xigxiga sheegtay;21: PN: U
S20040005565 Bogga: 17-22 sheegashada isku xigxiga;21: PN: US20040014051 BOGGA: 23 isku xigxiga sheegtay;22: PN: US20040014699 PAGE: 20 isku xigxiga sheegtay;23: PN: US20040006029 BOGGA: 23 isku xigxiga sheegtay;23: PN: WO03106645 BOGGA: 73 sheegasho isku xigxig;94: P N: US20040005707 PAGE: 20 oo la sheegay
Spectra waa la heli karaa
1 H NMR
13 C NMR
Hetero NMR
Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 2680 | pH 1;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 71500 | pH 2;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 7.21 x 105 | 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 | 8.48 x 105 | pH 8;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.39 x 105 | pH 9;Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 40300 | 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 | 1360 | pH 1;Heerkulka: 25 °C | (1) ACD |
| Koc | 36300 | pH 2;Heerkulka: 25 °C | (1) ACD |
| Koc | 3.66 x 105 | pH 3;Heerkulka: 25 °C | (1) ACD |
| Koc | 1.13 x 106 | pH 4;Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 1.42 x 106 | pH 5;Heerkulka: 25 °C | (1) ACD |
| Koc | 1.42 x 106 | pH 6;Heerkulka: 25 °C | (1) ACD |
| Koc | 1.17 x 106 | pH 7;Heerkulka: 25 °C | (1) ACD |
| Koc | 4.30 x 105 | pH 8;Heerkulka: 25 °C | (1) ACD |
| Koc | 70800 | pH 9;Heerkulka: 25 °C | (1) ACD |
| Koc | 20500 | pH 10;Heerkulka: 25 °C | (1) ACD |
| logD | 5.77 | pH 1;Heerkulka: 25 °C | (1) ACD |
| logD | 7.20 | pH 2;Heerkulka: 25 °C | (1) ACD |
| logD | 8.20 | pH 3;Heerkulka: 25 °C | (1) ACD |
| logD | 8.69 | pH 4;Heerkulka: 25 °C | (1) ACD |
| logD | 8.79 | pH 5;Heerkulka: 25 °C | (1) ACD |
| logD | 8.79 | pH 6;Heerkulka: 25 °C | (1) ACD |
| logD | 8.71 | pH 7;Heerkulka: 25 °C | (1) ACD |
| logD | 8.27 | pH 8;Heerkulka: 25 °C | (1) ACD |
| logD | 7.49 | pH 9;Heerkulka: 25 °C | (1) ACD |
| logD | 6.95 | pH 10;Heerkulka: 25 °C | (1) ACD |
| logP | 8.803 ± 0.766 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 5.4 x 10-5 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.051 g/L | pH 1;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.9 x 10-3 g/L | pH 2;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.9 x 10-4 g/L | pH 3;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 6.0 x 10-5 g/L | pH 4;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.8 x 10-5 g/L | pH 5;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 4.8 x 10-5 g/L | pH 6;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.8 x 10-5 g/L | pH 7;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.6 x 10-4 g/L | pH 8;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 9.3 x 10-4 g/L | pH 9;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 3.6 x 10-3 g/L | pH 10;Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 5.7 x 10-5 g/L | Biyaha aan la daboolin pH 6.97;Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 5.8 x 10-8 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-5 mol/L | pH 1;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.0 x 10-6 mol/L | pH 2;Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 2.0 x 10-7 mol/L | pH 3;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.4 x 10-8 mol/L | pH 4;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 5.1 x 10-8 mol/L | pH 5;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 5.1 x 10-8 mol/L | pH 6;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.2 x 10-8 mol/L | pH 7;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-7 mol/L | pH 8;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.0 x 10-6 mol/L | pH 9;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.9 x 10-6 mol/L | pH 10;Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 6.1 x 10-8 mol/L | Biyaha aan la daboolin pH 6.97;Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 932.01 | ||
| 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 | 22 | (1) ACD | |
| H Aqbalayaasha | 16 | (1) ACD | |
| H Deeq-bixiyayaasha | 1 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 17 | (1) ACD | |
| logP | 8.803 ± 0.766 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 932.01 |
(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 | 187 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 |
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