C42H39N3O8 Nach net zougewisen
| Schlësselphysikalesch Eegeschaften | Wäert | Zoustand |
| Molekulargewiicht | 713,78 | - |
| Dicht (virausgesot) | 1,315 ± 0,06 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr |
| pKa (Virausbezunnen) | 8,23±0,10 | Säurege Temperatur: 25 °C |
Kanonesch SMILES O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7)C(O)C4
Isomeresch Laachen
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C(=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
InChI
InChI=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5 -13-29,31-17-21-33(51-2)22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43-24-28-11-8-10-27-9-6-7-14-34(27)28/h3-22,25,36-38,46H,23-21,4,4,46H,23-21,4,4,24,4,24,4,24,4,23 (H,44,48,49)/t36-,37+,38+/m0/s1
InChI Schlëssel
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Verfügbar Immobilien |
| Biologesch |
| Verfügbar Immobilien |
| Chemesch |
| Dicht |
| Lipinski |
| Strukturbezunnen |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 41700 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 41700 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 41700 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 41700 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 41700 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 41200 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 36900 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 18100 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 3290 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 718 | 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 | 70600 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 70600 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 70600 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 70600 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 70500 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 69700 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 62400 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 30600 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 5560 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 1210 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | 6,38 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 6,38 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 6,38 | pH 3; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| logD | 6,38 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | 6,38 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | 6,38 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | 6.33 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | 6.02 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | 5.28 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | 4,62 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 6,382±0,644 | Temperatur: 25 °C | (1) ACD |
| Masse intrinsesch Léislechkeet | 5,1 x 10-7 g/L | Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,1 x 10-7 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,1 x 10-7 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,1 x 10-7 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,1 x 10-7 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,1 x 10-7 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,1 x 10-7 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,7 x 10-7 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,1 x 10⁻⁶ g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 6,4 x 10⁻⁶ g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 2,9 x 10⁻⁶ g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 5,7 x 10-7 g/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molar intrinsesch Léislechkeet | 7,1 x 10-10 mol/L | Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 7,1 x 10-10 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 7,1 x 10-10 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 7,1 x 10-10 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 7,1 x 10-10 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 7,1 x 10-10 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 7,2 x 10-10 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 8,0 x 10-10 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,6 x 10⁻⁶ mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 9,0 x 10⁻⁶ mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 4,1 x 10-8 mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 8,0 x 10-10 mol/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molekulargewiicht | 713,78 | ||
| pKa | 8,23±0,10 | Säurege Temperatur: 25 °C | (1) ACD |
| pKa | -1,90±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 | 1,315 ± 0,06 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr | (1) ACD |
| Molare Volumen | 542,7±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 | 6,382±0,644 | Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 713,78 |
(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
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![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)
![C21H23N3O5 L-Ornithin, N5-(Aminocarbonyl)-N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)