3-Hydroxybutyrolactone, (3S)-
PubChem CID: 7269389
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| Compound Synonyms | 7331-52-4, (S)-3-Hydroxy-gamma-butyrolactone, (S)-4-Hydroxydihydrofuran-2(3H)-one, (4S)-4-hydroxyoxolan-2-one, (S)-beta-Hydroxy-gamma-butyrolactone, 3-Hydroxybutyrolactone, (3S)-, (S)-4-Hydroxytetrahydrofuran-2-one, 2(3H)-Furanone, dihydro-4-hydroxy-, (4S)-, 2LIE7314JH, (S)-(-)-3-Hydroxybutyrolactone, MFCD00211247, DTXSID60428483, EC 434-990-4, 3-HYDROXYBUTYROLACTONE, (-)-, (S)-3-HYDROXY-.GAMMA.-BUTYROLACTONE, (S)-.BETA.-HYDROXY-.GAMMA.-BUTYROLACTONE, (S)-(-)-.BETA.-HYDROXY-.GAMMA.-BUTYROLACTONE, BUTYRIC ACID, 3,4-DIHYDROXY-, .GAMMA.-LACTONE, D-GLYCERO-, UNII-2LIE7314JH, (4S)-4-hydroxy-2-oxolanone, (4S)-4-Hydroxydihydrofuran-2(3H)-one, (S)-4,5-Dihydro-4-hydroxy-2(3H)-furanone, (S)-3-hydroxybutyrolactone, (3s)-3-hydroxybutyrolactone, SCHEMBL574767, (4S)-4-oxidanyloxolan-2-one, (S)-3-hydroxy-g-butyrolactone, DTXCID30379317, (S)-, A-Hydroxy-, A-butyrolactone, (S)-4-Hydroxy-dihydro-furan-2-one, GEO-03952, AKOS016842346, CS-W013702, FH60203, (, S, )-beta-Hydroxy-gamma-butyrolactone, (s)-(-)-3-hydroxy-gamma-butyrolactone, (S)-(-)-?-Hydroxy-gamma-butyrolactone, AC-13891, (S)- beta -Hydroxy- gamma -butyrolactone, (s)-(-)-beta-hydroxy-gamma-butyrolactone, (S)-beta-Hydroxy-gamma-butyrolactone, 96%, H0939, EN300-102216, H11711, A837785, Q27254893, BUTYRIC ACID, 3,4-DIHYDROXY-, GAMMA-LACTONE, D-GLYCERO-, 434-990-4, 623-293-2 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 88.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4S)-4-hydroxyoxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Molecular Formula | C4H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUDDLSHBRSNCBV-VKHMYHEASA-N |
| Fcsp3 | 0.75 |
| Logs | 0.656 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.022 |
| Compound Name | 3-Hydroxybutyrolactone, (3S)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 102.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.02474820000000022 |
| Inchi | InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m0/s1 |
| Smiles | C1[C@@H](COC1=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Homalomena Occulta (Plant) Rel Props:Source_db:cmaup_ingredients