![C50H58N7O9P Adenosine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl ) fosforamidît] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl ) phosphoramidite] (ACI) Wêne ya taybetmendî](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine.png)
C50H58N7O9P Adenosine, N-benzoyl-5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl ) fosforamidît] (ACI)
Hejmara qeydê ya CAS
251647-53-7
H302
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 932.01 | - |
| pKa (Pêşbînî kirin) | 7,87±0,43 | Germahiya herî asîdî: 25 °C |
SMILES 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
SMILES Îzomerî
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
InChI Key
VPBYBQBHLYRLHG-HDMAWCRFSA-N
16 Navên din ên vê madeyê
Adenosine,N-benzoyl-5′-O- [bis(4-metoksîfenîl)fenîlmethyl]-2'-O-(2-metoksîetîl)-, 3'- [2-cyanoethyl bis(1-methylethyl)
fosforamidît] (9CI);16: PN: US20030211606 PAGE: 19 rêzika îdîakirî;16: PN: US20030212017 PAGE: 20 rêzika îdîakirî;17: PN: US20040005569 PAGE: 22 rêzika îdîakirî;19: PN: US20040006030 PAGE: 23 rêzika îdîakirî;19: PN: US20040014047
RÛpel: 21 rêza îdîakirin;19: PN: US20040014049 PAGE: 21 rêzika îdîakirî;20: PN: US20040005570 PAGE: 20 îddîa kirin
dor;20: PN: US20040014048 PAGE: 21 rêzika îdîakirî;20: PN: US20040014050 PAGE: 20 rêzika îdîakirî;21: PN: U
S20040005565 PAGE: 17- 22 rêzika îdîakirî;21: PN: US20040014051 PAGE: 23 rêzika îdîakirî;22: PN: US20040014699 PAGE: 20 rêzika îdîakirî;23: PN: US20040006029 PAGE: 23 rêzika îdîakirî;23: PN: WO03106645 PAGE: 73 rêzika îdîakirî;94: P N: US20040005707 PAGE: 20 rêzika îdîakirî
Spectra heye
1 H NMR
13 C NMR
Hetero NMR
Taybetmendiyên berdest
Biyolojîkî
Şîmyakî
Lipinski
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 2680 | pH 1;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 71500 | pH 2;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 7,21 x 105 | pH 3;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 4;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 5;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 6;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,00 x 106 | pH 7;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 8,48 x 105 | pH 8;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,39 x 105 | pH 9;Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 40300 | pH 10;Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Koc | 1360 | pH 1;Germ: 25 °C | (1) ACD |
| Koc | 36300 | pH 2;Germ: 25 °C | (1) ACD |
| Koc | 3,66 x 105 | pH 3;Germ: 25 °C | (1) ACD |
| Koc | 1,13 x 106 | pH 4;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 1,42 x 106 | pH 5;Germ: 25 °C | (1) ACD |
| Koc | 1,42 x 106 | pH 6;Germ: 25 °C | (1) ACD |
| Koc | 1,17 x 106 | pH 7;Germ: 25 °C | (1) ACD |
| Koc | 4,30 x 105 | pH 8;Germ: 25 °C | (1) ACD |
| Koc | 70800 | pH 9;Germ: 25 °C | (1) ACD |
| Koc | 20500 | pH 10;Germ: 25 °C | (1) ACD |
| logD | 5.77 | pH 1;Germ: 25 °C | (1) ACD |
| logD | 7.20 | pH 2;Germ: 25 °C | (1) ACD |
| logD | 8.20 | pH 3;Germ: 25 °C | (1) ACD |
| logD | 8.69 | pH 4;Germ: 25 °C | (1) ACD |
| logD | 8.79 | pH 5;Germ: 25 °C | (1) ACD |
| logD | 8.79 | pH 6;Germ: 25 °C | (1) ACD |
| logD | 8.71 | pH 7;Germ: 25 °C | (1) ACD |
| logD | 8.27 | pH 8;Germ: 25 °C | (1) ACD |
| logD | 7.49 | pH 9;Germ: 25 °C | (1) ACD |
| logD | 6.95 | pH 10;Germ: 25 °C | (1) ACD |
| logP | 8,803±0,766 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 5,4 x 10-5 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,051 g/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,9 x 10-3 g/L | pH 2;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,9 x 10-4 g/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 6,0 x 10-5 g/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,8 x 10-5 g/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,8 x 10-5 g/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-5 g/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,6 x 10-4 g/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 9,3 x 10-4 g/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,6 x 10-3 g/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,7 x 10-5 g/L | pH ava nebuffered 6,97;Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 5,8 x 10-8 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,5 x 10-5 mol/L | pH 1;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,0 x 10-6 mol/L | pH 2;Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 2,0 x 10-7 mol/L | pH 3;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,4 x 10-8 mol/L | pH 4;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,1 x 10-8 mol/L | pH 5;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,1 x 10-8 mol/L | pH 6;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,2 x 10-8 mol/L | pH 7;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,7 x 10-7 mol/L | pH 8;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,0 x 10-6 mol/L | pH 9;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,9 x 10-6 mol/L | pH 10;Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 6,1 x 10-8 mol/L | pH ava nebuffered 6,97;Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 932.01 | ||
| pKa | 7,87±0,43 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Germahiya herî bingehîn: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 22 | (1) ACD | |
| H Qebûrker | 16 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qebûl Sum | 17 | (1) ACD | |
| logP | 8,803±0,766 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 932.01 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Giranî | Çavkaniya Rewşa |
| Qada Rûyê Polar | 187 A2 | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1 H NMR
13 C NMR
| Çavkaniya Daxuyaniya Xetereya Kodê | |
| H302 Ger were daqurtandin zerar e | Dabeşkirin & Etîketkirin Ajansa Kîmyewî ya Ewropayê (ECHA). Envanter - Dabeşkirin û etîketkirina agahdarkirî - agahdariya herî gelemperî, Ajansa Kîmyewî ya Ewropî (ECHA) Dabeşkirin&Etîketkirin Envanter - Tesnîfkirin û etîketkirina agahdarkirî - agahdariya herî giran |
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