D-Dehydroascorbic acid
PubChem CID: 9815359
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| Compound Synonyms | D-Dehydroascorbic acid, 19192-77-9, 33124-69-5, (5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-trione, D-threo-2,3-Hexodiurosonic acid 1,4-lactone, rel-(S)-5-((R)-1,2-Dihydroxyethyl)furan-2,3,4(5H)-trione, starbld0022418, SCHEMBL3036852, DTXSID801018175, threo-a2,a3-aHexodiulosonic acid, I(3)-alactone |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-trione |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C6H6O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SBJKKFFYIZUCET-MVHIGOERSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.838 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.125 |
| Compound Name | D-Dehydroascorbic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.016 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.016 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 174.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.13856959999999985 |
| Inchi | InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m1/s1 |
| Smiles | C([C@H]([C@H]1C(=O)C(=O)C(=O)O1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients