5-(Hydroxymethyl)-2(5H)-furanone
PubChem CID: 144863
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| Compound Synonyms | 5-(Hydroxymethyl)-2(5H)-furanone, 10374-60-4, 2-(hydroxymethyl)-2H-furan-5-one, 2(5H)-Furanone, 5-(hydroxymethyl)-, L-ERYTHRO-ASCORBATE, (S)-(-)-5-(HYDROXYMETHYL)-2(5H)-FURANONE, 5-(Hydroxymethyl)furan-2(5H)-one, (S)-5-Hydroxymethyl-2(5H)-furanone, (S)-5-Hydroxymethyl-2[5H]-furanone, erythro-ascorbate, 5-(hydroxymethyl)-2,5-dihydrofuran-2-one, SCHEMBL811051, 5-hydroxymethyl-2(5h)-furanone, DTXSID70276396, CHEBI:183113, 2-(hydroxymethyl)-2H-uran-5-one, AKOS015913945, SB45317, DB-060249, EN300-216682 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-2H-furan-5-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C5H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AWNLUIGMHSSXHB-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | 0.153 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.477 |
| Compound Name | 5-(Hydroxymethyl)-2(5H)-furanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 114.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.21051999999999987 |
| Inchi | InChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2 |
| Smiles | C1=CC(=O)OC1CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients