(4R)-4-hydroxy-3-methylideneoxolan-2-one
PubChem CID: 10103141
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| Compound Synonyms | (4R)-4-hydroxy-3-methylideneoxolan-2-one, 95529-89-8, CHEBI:87123, 2-methylene-3-hydroxy-gamma-butyrolactone, (+)-Tulipalin B, alpha-methylene-beta-hydroxy-gamma-butyrolactone, CHEMBL170934, SCHEMBL4926880, DTXSID801234216, (4R)-Dihydro-4-hydroxy-3-methylene-2(3H)-furanone, Q27159387 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-4-hydroxy-3-methylideneoxolan-2-one |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Is Pains | False |
| Molecular Formula | C5H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BFLSLERVRLOFCX-BYPYZUCNSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (4R)-4-hydroxy-3-methylideneoxolan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.032 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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 | -0.3206199999999998 |
| Inchi | InChI=1S/C5H6O3/c1-3-4(6)2-8-5(3)7/h4,6H,1-2H2/t4-/m0/s1 |
| Smiles | C=C1[C@H](COC1=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tulipa Gesneriana (Plant) Rel Props:Source_db:cmaup_ingredients