(8S)-8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione
PubChem CID: 49766623
Connections displayed (default: 10).
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| Topological Polar Surface Area | 102.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8S)-8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione |
| Prediction Hob | 0.0 |
| Xlogp | -1.2 |
| Molecular Formula | C5H6N4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KYKVXIJTQOYZLY-BYPYZUCNSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.739 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.121 |
| Compound Name | (8S)-8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.044 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.044 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 170.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1450936 |
| Inchi | InChI=1S/C5H6N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h4,6,11H,(H3,7,8,9,10,12)/t4-/m0/s1 |
| Smiles | [C@@H]1(NC2=C(N1)NC(=O)NC2=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Castanea Mollissima (Plant) Rel Props:Source_db:cmaup_ingredients