3,6-Anhydro-2-deoxy-beta-d-arabino-hexofuranose
PubChem CID: 129881766
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| Compound Synonyms | 3,6-anhydro-2-deoxy-beta-d-arabino-hexofuranose |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,3aR,5R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,5-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Is Pains | False |
| Molecular Formula | C6H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RUOYDTZDXIKJLO-KVTDHHQDSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 3,6-Anhydro-2-deoxy-beta-d-arabino-hexofuranose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.058 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 146.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 146.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.008980399999999888 |
| Inchi | InChI=1S/C6H10O4/c7-3-2-9-4-1-5(8)10-6(3)4/h3-8H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Smiles | C1[C@@H]2[C@@H]([C@@H](CO2)O)O[C@H]1O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Swertia Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients