Osumudalactome
PubChem CID: 12374457
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Osmundalactone, Osumudalactome, CHEMBL2040599, SCHEMBL18850782, TVDPVFPVOHCHQM-UHNVWZDZSA-, InChI=1/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-5,7H,1H3/t4-,5+/m1/s1 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3S)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Is Pains | False |
| Molecular Formula | C6H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TVDPVFPVOHCHQM-UHNVWZDZSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Osumudalactome |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.047 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 128.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 128.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6343873999999998 |
| Inchi | InChI=1S/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-5,7H,1H3/t4-,5+/m1/s1 |
| Smiles | C[C@@H]1[C@H](C=CC(=O)O1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:cmaup_ingredients