![C41H41N5O8 Adenosin, N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosin, N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)- (9CI, ACI) Ausgewielt Bild](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41H41N5O8 Adenosin, N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)- (9CI, ACI)
| Schlësselphysikalesch Eegeschaften | Wäert | Zoustand |
| Molekulargewiicht | 731,79 | - |
| Schmelzpunkt (Experimentell) | 119-121 °C | - |
| Dicht (virausgesot) | 1,31±0,1 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr |
| pKa (Virausbezunnen) | 7,87±0,43 | Säurege Temperatur: 25 °C |
Kanonesch SMILES 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
Isomeresch Laachen
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/h4-21,25-26,33,35-47,21,H-35-46,20,H-35-47,20,H (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChI Schlëssel
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 aner Nimm fir dës Substanz
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)adenosin (ACI); 17: PN: US20030211606 Säit: 19 ugefrote Sequenz; 18: PN: US20040005569 Säit: 22 ugefrote Sequenz; 20: PN: US20040006030 Säit: 23 ugefrote Sequenz; 20: PN: US20040014047 Säit: 21 ugefrote Sequenz; 20: PN: US20040014049 Säit: 21 ugefrote Sequenz; 21: PN: US20040005570 PAG
E: 20 ugefrote Sequenz; 21: PN: US20040014048 Säit: 21 ugefrote Sequenz; 21: PN: US20040014050 Säit: 20 ugefrote Sequenz; 22: PN: US20040005565 Säit: 17-22 ugefrote Sequenz; 22: PN: US20040014051 Säit: 23 ugefrote Sequenz; 23: PN: US20040 014699 Säit: 20 ugefrote Sequenz; 24: PN: US20040006029 Säit: 23 ugefrote Sequenz; 24: PN: WO03106645 Säit: 73 ugefrote Sequenz; 5'-Dimethoxytrityl-2'-O-(2-Methoxyethyl)-N6-benzoyladenosin; 95: PN: US20040005707 Säit: 20 behaapt Sequenz
| Verfügbar Immobilien |
| Thermesch |
Thermesch
| Immobilie | Wäert | Zoustand | Quell |
| Schmelzpunkt | 119-121 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nukleosiden, Nukleotiden & Nukleinsäuren, (2018), 37(4), 232-247, CAplus
Spektren verfügbar
1H NMR
13C-NMR
| Verfügbar Immobilien |
| Biologesch |
| Chemesch |
| Dicht |
| Lipinski |
| Strukturbezunnen |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 31700 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,08 x 105 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,43 x 105 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,48 x 105 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,48 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,45 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,19 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 43000 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 7050 | pH 9; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 2060 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemesch
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 37400 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 1,28 x 105 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 1,69 x 105 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 1,74 x 105 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 1,74 x 105 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 1,71 x 105 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 1,40 x 105 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 50700 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 8320 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 2430 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 6,44 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 6,97 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 7.09 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 7.11 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 7.11 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 7.10 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 7.01 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 6,57 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 5,78 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 5,25 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 7,109±0,766 | Temperatur: 25 °C | (1) ACD |
| Masse intrinsesch Léislechkeet | 5,6 x 10⁻⁶ g/L | Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 2,6 x 10-5 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 7,3 x 10-6 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,8 x 10⁻⁶ g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,6 x 10⁻⁶ g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,6 x 10⁻⁶ g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,7 x 10-6 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 7,0 x 10⁻⁶ g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Masselöslechkeet | 1,9 x 10-5 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,2 x 10⁻⁴ g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 4,0 x 10⁻⁴ g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 7,0 x 10⁻⁶ g/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molar intrinsesch Léislechkeet | 7,6 x 10⁻⁶ mol/L | Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 3,6 x 10-8 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,0 x 10⁻⁶ mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 7,9 x 10⁻⁶ mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 7,7 x 10⁻⁶ mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 7,7 x 10⁻⁶ mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 7,8 x 10-9 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 9,6 x 10⁻⁶ mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,6 x 10-8 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,6 x 10-7 mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 5,5 x 10⁻⁶ mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 9,5 x 10⁻⁶ mol/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 731,79 | ||
| pKa | 7,87±0,43 | Säurege Temperatur: 25 °C | (1) ACD |
| pKa | 1,39±0,10 | Basis Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dicht
| Immobilie | Wäert | Zoustand | Quell |
| Dicht | 1,31±0,1 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr | (1) ACD |
| Molare Volumen | 556,9±7,0 cm3/mol | Temperatur: 20 °C; Drock: 760 Torr | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Bindungen | 15 | (1) ACD | |
| H-Akzeptoren | 13 | (1) ACD | |
| H Spender | 2 | (1) ACD | |
| H Donateur/Akzeptant Zomm | 15 | (1) ACD | |
| Immobilie | Wäert | Zoustand | Quell |
| logP | 7,109±0,766 | Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 731,79 |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturbezunnen
| Immobilie | Wäert | Zoustand | Quell |
| Polarfläche | 148 A2 | (1) ACD | |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H NMR
13C-NMR
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