C38H37N3O8 Nach net zougewisen
| Schlësselphysikalesch Eegeschaften | Wäert | Zoustand |
| Molekulargewiicht | 663,72 | - |
| Dicht (virausgesot) | 1,304±0,06 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr |
| pKa (Virausbezunnen) | 8,27±0,10 | Säurege Temperatur: 25 °C |
Kanonesch Laachen O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3
Isomeresch Laachen
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8) -12-26,28-15-19-30(47-2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39-22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,4,4,5,4,4,4,4,4,4,4,4,4,5
,33+,34+/m0/s1
InChI Schlëssel
NZBGRVLZISPURB-LBFZIJHGSA-N
| Verfügbar Immobilien |
| Biologesch |
| Verfügbar Immobilien |
| Chemesch |
| Dicht |
| Lipinski |
| Strukturbezunnen |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 5250 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 5250 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 5260 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 5260 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 5250 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 5200 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 4720 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2460 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 466 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 96,9 | 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 | 16000 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 16000 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 16000 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 16000 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 16000 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 15800 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 14400 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 7510 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 1420 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 296 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 5.20 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 5.20 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 5.20 | pH 3; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| logD | 5.20 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 5.20 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 5.19 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 5.15 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 4,87 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 4.15 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 3,46 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 5,198±0,644 | Temperatur: 25 °C | (1) ACD |
| Masse intrinsesch Léislechkeet | 9,3 x 10⁻⁶ g/L | Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 9,3 x 10⁻⁶ g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 9,3 x 10⁻⁶ g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 9,3 x 10⁻⁶ g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 9,3 x 10⁻⁶ g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 9,3 x 10⁻⁶ g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 9,3 x 10⁻⁶ g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,1 x 10-5 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 2,0 x 10⁻⁶ g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,1 x 10⁻⁴ g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,1 x 10⁻⁴ g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,1 x 10-5 g/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molar intrinsesch Léislechkeet | 1,4 x 10-8 mol/L | Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10-8 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10-8 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10-8 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10-8 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10-8 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10-8 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,6 x 10-8 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 3,0 x 10⁻⁶ 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 | 7,7 x 10⁻⁶ mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,6 x 10-8 mol/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molekulargewiicht | 663,72 | ||
| pKa | 8,27±0,10 | Säurege Temperatur: 25 °C | (1) ACD |
| pKa | -1,66±0,20 | 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 | 1,304±0,06 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr | (1) ACD |
| Molare Volumen | 508,6±3,0 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 | 13 | (1) ACD | |
| H-Akzeptoren | 11 | (1) ACD | |
| H Spender | 3 | (1) ACD | |
| H Donateur/Akzeptant Zomm | 14 | (1) ACD | |
| logP | 5,198±0,644 | Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 663,72 |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturbezunnen
| Immobilie | Wäert | Zoustand | Quell |
| Polarfläche | 136 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
![C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
![C50H58N7O9P Adenosin, N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methoxyethyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C41H51N5O8Si Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)
![C45H56N7O9P Guanosin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)