[(2S,3R,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]methanol
PubChem CID: 465411
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| Compound Synonyms | CHEMBL443297 |
|---|---|
| Topological Polar Surface Area | 93.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(2S,3R,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]methanol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Is Pains | False |
| Molecular Formula | C11H13ClN4O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XPTOXNMHPDPXOH-BWZBUEFSSA-N |
| Fcsp3 | 0.5454545454545454 |
| Rotatable Bond Count | 3.0 |
| Compound Name | [(2S,3R,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]methanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 284.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.417484915789474 |
| Inchi | InChI=1S/C11H13ClN4O3/c12-10-9-11(14-4-13-10)16(5-15-9)8-1-6(2-17)7(3-18)19-8/h4-8,17-18H,1-3H2/t6-,7-,8-/m1/s1 |
| Smiles | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3Cl)CO)CO |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients