C13H19N5O5 Adenosin, 2'-O-(2-methoxyethyl)- (9CI, ACI)
CAS-Registrierungsnummer
168427-74-5
| Schlësselphysikalesch Eegeschaften | Wäert | Zoustand |
| Molekulargewiicht | 325,32 | - |
| Kachpunkt (virausgesot) | 639,0±65,0 °C | Dréck: 760 Torr |
| Dicht (virausgesot) | 1,70±0,1 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr |
| pKa (Virausbezunnen) | 13,12±0,70 | Säurege Temperatur: 25 °C |
Kanonesch Laachen
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
Isomeresch Laachen
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
InChI
InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-19-10-20,1H-10-20,1H (H2,14,15,16)/t7-,9-,10-,13-/m1/s1
InChI Schlëssel
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Aneren Numm fir dës Substanz
2′ -O-(2-Methoxyethyl)adenosin (ACI)
Spektren verfügbar
1H NMR
13C NMR
Verfügbar Immobilien
Biologesch
Chemesch
Dicht
Lipinski
Strukturbezunnen
Thermesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 1.0 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.18 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.31 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,32 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,32 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,32 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1,32 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 1.0 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 3,39 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 19.4 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 38,0 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 42,0 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 42,5 | pH 7; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 42,5 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 42,5 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 42,5 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | -1,94 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | -1,48 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | -0,64 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | 0,12 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 0,41 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 0,46 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 0,46 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 0,46 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 0,46 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 0,46 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 0,462±0,647 | Temperatur: 25 °C | (1) ACD |
| Masse intrinsesch Léislechkeet | 4,2 g/L | Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 999 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 381 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 55 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 9,4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 4,9 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 4,2 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 4,2 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 4,2 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 4,2 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 4,2 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 4,2 g/L | Ongepuffert Waasser pH 8,08; Temperatur: 25 °C | (1) ACD |
| Molar intrinsesch Léislechkeet | 0,013 mol/L | Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 3,07 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,17 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,17 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,029 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,015 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Löslechkeet | 0,013 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,013 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,013 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,013 mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,013 mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,013 mol/L | Ongepuffert Waasser pH 8,08; Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 325,32 | ||
| pKa | 13,12±0,70 | Säurege Temperatur: 25 °C | (1) ACD |
| pKa | 3,82±0,10 | Basis Temperatur: 25 °C | (1) ACD |
| Dampdrock | 3,35 x 10⁻⁶ Torr | Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Zoustand | Quell |
| Dicht | 1,70±0,1 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr | (1) ACD |
| Molare Volumen | 191,2±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)
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Bindungen | 8 | (1) ACD | |
| H-Akzeptoren | 10 | (1) ACD | |
| H Spender | 4 | (1) ACD | |
| H Donateur/Akzeptant Zomm | 14 | (1) ACD | |
| logP | 0,462±0,647 | Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 325,32 |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Quell vun der Konditioun |
| Polarfläche | 138 A2 | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Zoustand | Quell |
| Kachpunkt | 639,0±65,0 °C | Dréck: 760 Torr | (1) ACD |
| Enthalpie vun der Verdampfung | 99,17±3,0 kJ/mol | Dréck: 760 Torr | (1) ACD |
| Flammpunkt | 340,2±34,3 °C | (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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