(S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone
PubChem CID: 2733813
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| Compound Synonyms | 32780-06-6, (s)-5-(hydroxymethyl)dihydrofuran-2(3h)-one, (5S)-5-(hydroxymethyl)oxolan-2-one, (s)-5-hydroxymethyldihydrofuran-2-one, (S)-(+)-Dihydro-5-(hydroxymethyl)furanone, (S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone, (S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone, (s)-4-hydroxymethyl butyrolactone, (s)-5-(hydroxymethyl)-dihydrofuran-2(3h)-one, MFCD00066224, DTXSID00954438, (S)-(+)-2',3'-Dideoxyribonolactone, 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-, (5S)-, 5-(Hydroxymethyl)dihydro-2(3H)-furanone #, (S)-5-Hydroxymethyl-2-oxotetrahydrofuran, (S)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone, SCHEMBL283689, BCP23415, GEO-04229, AKOS006238373, AKOS015856120, AC-6630, CS-W002306, FH15398, (S)-5-hydroxymethyl-dihydro-furan-2-one, AS-37601, H0958, (5S)-5-(hydroxymethyl)tetrahydro-2-furanone, (5S)-5-(hydroxymethyl)-2-oxo-tetrahydrofuran, (S)-(+)-5-Hydroxymethyltetrahydro-2-furanone, EN300-257939, (5S)-5-(hydroxymethyl)dihydrofuran-2(3H)-one, (5s)-dihydro-5-(hydroxymethyl)-2(3h)-furanone, (5S)-dihydro-5-(hydroxymethyl)furan-2(3H)-one, (S)-(+)-dihydro-5-hydroxymethyl-2(3H)furanone, (S)-(+)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone, (S)-(+)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone, 95%, (S)-(+)-5-Hydroxymethyltetrahydro-2-furanone, (S)-(+)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone, (S)-gamma-Hydroxymethyl-gamma-butyrolactone, (S)-4,5-Dihydro-5-hydroxymethyl-2(3H)-furanone, (S)-5-Hydroxymethyl-2-oxotetrahydrofuran, 680-050-3 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-(hydroxymethyl)oxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C5H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NSISJFFVIMQBRN-BYPYZUCNSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.097 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.076 |
| Compound Name | (S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 116.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.21671919999999983 |
| Inchi | InChI=1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m0/s1 |
| Smiles | C1CC(=O)O[C@@H]1CO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ranunculus Ternatus (Plant) Rel Props:Source_db:cmaup_ingredients