C15H21N5O6 Guanosin, 2′-O-methyl-N-(2-methyl-1-ocsopropyl)- (9CI, ACI)
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 367.36 | - |
| Dwysedd (Rhagfynegedig) | 1.68±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 9.16±0.20 | Tymheredd Mwyaf Asidig: 25 °C |
GWÊNAU Canonaidd O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
GWÊNAU Isomerig O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)O[C@H](CO)[C@H]1O
InChI
InChI=1S/C15H21N5O6/c1-6(2)12(23)18-15-17-11-8(13(24)19-15)16-5-20(11)14-10(25-3)9(22)7(4-21)26-14/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
Allwedd InChI
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Enw Arall ar gyfer y Sylwedd hwn
2′-O-Methyl-N-(2-methyl-1-ocsopropyl)guanosin (ACI);N2-Isobwtyryl-2′-O-methylguanosine
Spectra sydd ar gael
1H NMR
13C NMR
Màs
| Eiddo sydd ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Cysylltiedig â Strwythur |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 1.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cemegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 2.12 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 12.5 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | -1.26 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | -0.65 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | -0.47 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | -0.46 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | -0.46 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | -0.47 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | -0.69 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | -1.34 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 0.55 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.5 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.84 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.59 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.55 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.55 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.55 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.55 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.59 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.96 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.4 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 0.55 g/L | Dŵr Heb ei Gluffio pH 6.00; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 1.5 x 10-3 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 9.6 x 10-3 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.3 x 10-3 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.6 x 10-3 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.5 x 10-3 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.5 x 10-3 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 1.5 x 10-3 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.5 x 10-3 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.6 x 10-3 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.6 x 10-3 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.012 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.5 x 10-3 mol/L | Dŵr Heb ei Gluffio pH 6.00; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 367.36 | ||
| pKa | 9.16±0.20 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.68±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 217.6±7.0 cm3/mol | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroi'n Rhydd | 6 | (1) ACD | |
| Derbynyddion H | 11 | (1) ACD | |
| Rhoddwyr H | 4 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 15 | (1) ACD | |
| logP | -0.464±0.636 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 367.36 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cysylltiedig â Strwythur
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Arwynebedd Wyneb Pegynol | 147 A2 | (1) ACD | |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
Spectra sydd ar gael
13C NMR
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