![C41H41N5O8 Adenozîn, N-benzoîl-5'-O-[bis(4-metoksîfenîl)fenîlmetîl]-2'- O-(2-metoksîetîl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)fenylmethyl]-2'- O-(2-methoxyethyl)- (9CI, ACI) Wêne ya Taybet](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenozîn, N-benzoîl-5'-O-[bis(4-metoksîfenîl)fenîlmetîl]-2'- O-(2-metoksîetîl)- (9CI, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 731.79 | - |
| Xala Helînê (Ezmûnî) | 119-121 °C | - |
| Density (Pêşbîn kirin) | 1,31±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 7,87±0,43 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6 )C(O)C3OCCOC)C=7C=CC=CC7
SMILES Îzomerî
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)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/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34) 46)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31( 50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2, 1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChI Key
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Navên din ên vê madeyê
N-Benzoyl-5'-O-[bis(4-metoksîfenîl)fenîlmetîl]-2'-O-(2-metoksîetîl)adenozîn (ACI); 17: PN: US20030211606 RÛpel: 19 rêzika îdîakirî; 18: PN: US20040005569 PAGE: 22 rêzika îdîakirî; 20: PN: US20040006030 PAGE: 23 rêzika îdîakirî; 20: PN: US20040014047 PAGE: 21 rêzika îdîakirî; 20: PN: US20040014049 PAGE: 21 rêzika îdîakirî; 21: PN: US20040005570 PAG
E: 20 rêzika îdîakirî; 21: PN: US20040014048 PAGE: 21 rêzika îdîakirî; 21: PN: US20040014050 PAGE: 20 rêzika îdîakirî; 22: PN: US20040005565 PAGE: 17- 22 rêzika îdîakirî; 22: PN: US20040014051 PAGE: 23 rêzika îdîakirî; 23: PN: US20040 014699 PAGE: 20 rêzika îdîakirî; 24: PN: US20040006029 PAGE: 23 rêzika îdîakirî; 24: PN: WO03106645 PAGE: 73 rêzika îdîakirî; 5'-Dimetoksîtrîtil-2'-O-(2-Metoksîetîl)-N6-benzoîl adenozîn; 95: PN: US20040005707 PAGE: 20 rêzika îdîakirî
| Taybetmendiyên berdest |
| Termal |
Termal
| Mal | Giranî | Rewş | Kanî |
| Melting Point | 119-121 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, CAplus
Spectra heye
1H NMR
13C NMR
| Taybetmendiyên berdest |
| Biyolojîkî |
| Şîmyakî |
| Density |
| Lipinski |
| Structure Related |
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 31700 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,08 x 105 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,43 x 105 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,48 x 105 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,48 x 105 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,45 x 105 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,19 x 105 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 43000 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 7050 | pH 9; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 2060 | 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
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 37400 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 1,28 x 105 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 1,69 x 105 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 1,74 x 105 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 1,74 x 105 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 1,71 x 105 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 1,40 x 105 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 50700 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 8320 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 2430 | pH 10; Germ: 25 °C | (1) ACD |
| logD | 6.44 | pH 1; Germ: 25 °C | (1) ACD |
| logD | 6.97 | pH 2; Germ: 25 °C | (1) ACD |
| logD | 7.09 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 7.11 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 7.11 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 7.10 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 7.01 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 6.57 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 5.78 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 5.25 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 7,109±0,766 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 5,6 x 10-6 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,6 x 10-5 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 7,3 x 10-6 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,8 x 10-6 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,6 x 10-6 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,6 x 10-6 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,7 x 10-6 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 7,0 x 10-6 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya girseyî | 1,9 x 10-5 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,2 x 10-4 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,0 x 10-4 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 7,0 x 10-6 g/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 7,6 x 10-9 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,6 x 10-8 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,0 x 10-8 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,9 x 10-9 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,7 x 10-9 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,7 x 10-9 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 7,8 x 10-9 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 9,6 x 10-9 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,6 x 10-8 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,6 x 10-7 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,5 x 10-7 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 9,5 x 10-9 mol/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 731.79 | ||
| pKa | 7,87±0,43 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 1,39±0,10 | 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
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,31±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 556,9±7,0 cm3/mol | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 15 | (1) ACD | |
| H Qebûrker | 13 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qebûl Sum | 15 | (1) ACD | |
| Mal | Giranî | Rewş | Kanî |
| logP | 7,109±0,766 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 731.79 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 148 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
13C NMR
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