C17H25N5O7 Guanosin, 2'-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)- (9CI, A CI)
| Schlësselphysikalesch Eegeschaften | Wäert | Zoustand |
| Molekulargewiicht | 411,41 | - |
| Schmelzpunkt (Experimentell) | 137-139,2 °C | - |
| Dicht (virausgesot) | 1,60±0,1 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr |
| pKa (Virausbezunnen) | 8,68±0,20 | Säurege Temperatur: 25 °C |
Kanonesch SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomeresch SMILES O=C1C2=C(N(C=N2)[C@H]3[C@H](OCCOC)[C@H](O)[C@@H](CO)O3)NC(NC(C(C)C)=O)=N1
InChI
InChI=1S/C17H25N5O7/c1-8(2)14(25)20-17-19-13-10(15(26)21-17)18 -7-22(13)16-12(28-5-4-27-3)11(24)9(6-23)29-16/h7-9,11-12,16,23- 24H,4-6H2,1-3H3,(H2,19,20,21,25,26)/t9-,11-,12-,16-/m1/s1
InChI Schlëssel
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Aneren Numm fir dës Substanz
2'-O-(2-Methoxyethyl)-N-(2-methyl-1-oxopropyl)guanosin (ACI)
| Verfügbar Immobilien |
| Thermesch |
Thermesch
| Immobilie | Wäert | Zoustand | Quell |
| Schmelzpunkt | 137-139,2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.; Nukleosiden, Nukleotiden & Nukleinsäuren, (2008), 27(9), 1024-1033, CAplus
Spektren verfügbar
1H NMR
13C-NMR
IR
| Verfügbar Immobilien |
| Biologesch |
| Chemesch |
| Dicht |
| Lipinski |
| Strukturbezunnen |
Biologesch
| 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 | 1.0 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 1.0 | 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 | 1.0 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 1.01 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 5,81 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 11.4 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 12.6 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 12.7 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 12,5 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 10.6 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 4.20 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Temperatur: 25 °C | (1) ACD |
| logD | -2,44 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | -1,60 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | -0,84 | pH 3; Temperatur: 25 °C | (1) ACD |
| logD | -0,55 | pH 4; Temperatur: 25 °C | (1) ACD |
| logD | -0,50 | pH 5; Temperatur: 25 °C | (1) ACD |
| logD | -0,50 | pH 6; Temperatur: 25 °C | (1) ACD |
| logD | -0,51 | pH 7; Temperatur: 25 °C | (1) ACD |
| logD | -0,58 | pH 8; Temperatur: 25 °C | (1) ACD |
| logD | -0,98 | pH 9; Temperatur: 25 °C | (1) ACD |
| logD | -1,76 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | -0,497±0,633 | Temperatur: 25 °C | (1) ACD |
| Masse intrinsesch Léislechkeet | 0,58 g/L | Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 49 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 7,0 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,2 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,62 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,58 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,58 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,58 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,70 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,7 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 10 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Masselöslechkeet | 0,58 g/L | Ongepuffert Waasser pH 5,98; Temperatur: 25 °C | (1) ACD |
| Molar intrinsesch Léislechkeet | 1,4 x 10⁻³ mol/L | Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,12 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,017 mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 3,0 x 10⁻³ mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,5 x 10⁻³ mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10⁻³ mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10⁻³ mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10⁻³ mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,7 x 10⁻³ mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 4,2 x 10⁻³ mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 0,025 mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10⁻³ mol/L | Ongepuffert Waasser pH 5,98; Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 411,41 | ||
| pKa | 8,68±0,20 | Säurege Temperatur: 25 °C | (1) ACD |
| pKa | 3,05±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 | 1,60±0,1 g/cm3 | Temperatur: 20 °C; Drock: 760 Torr | (1) ACD |
| Molare Volumen | 256,2±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)
Lipinski
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Bindungen | 9 | (1) ACD | |
| H-Akzeptoren | 12 | (1) ACD | |
| H Spender | 4 | (1) ACD | |
| H Donateur/Akzeptant Zomm | 16 | (1) ACD | |
| logP | -0,497±0,633 | Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 411,41 |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturbezunnen
| Immobilie | Wäert | Zoustand | Quell |
| Polarfläche | 157 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
![C38H49NO7 1-Pyrrolidindodecansäure, 2-[[bis(4-methoxyphenyl)phenylmethylethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C44H49N5O7Si Adenosin, N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C43H55N4O10P Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-(2-methoxyethyl)-5-methyl-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)
