(+)-Pantolactone
PubChem CID: 736053
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| Compound Synonyms | 5405-40-3, (S)-(+)-Pantolactone, (S)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one, L-Pantolactone, (3S)-3-hydroxy-4,4-dimethyloxolan-2-one, (+)-pantolactone, L-(+)-Pantolactone, Pantolactone, (S)-, 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (3S)-, MFCD00216625, FD4U4CPB7D, (S)-2-Hydroxy-3,3-dimethyl-4-butanolide, EC 626-470-2, DTXSID801316664, (3S)-dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, (S)?-?(+)?-?Pantolactone, (S)-pantolactone, Pantolactons, l-Pantoyl lactone, (S)-pantoyl lactone, UNII-FD4U4CPB7D, Pantolactone L-Form [MI], SCHEMBL1164243, (S)-(+)-Pantolactone, 97%, DTXCID901022521, BCP10328, AKOS015842117, CS-W013437, FP00106, FP16359, TS-01704, NS00077468, (S)-3-Hydroxy-4,4-dimethyl-dihydro-furan-2-one, 3-(S)-Hydroxy-4,4-dimethyl-dihydro-furan-2-one, (S)-3-hydroxy-4,4-dimethydihydrofuran-2-(3H)-one, (3R)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, (-)-(R)-Pantolactone, (-)-2-Hydroxy-3,3-dimethyl-gamma-butyrolactone, (S)-(+)-4,5-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, (S)-(+)-a-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone, 626-470-2 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-hydroxy-4,4-dimethyloxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C6H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SERHXTVXHNVDKA-SCSAIBSYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.757 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.954 |
| Compound Name | (+)-Pantolactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 130.139 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9366866 |
| Inchi | InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m1/s1 |
| Smiles | CC1(COC(=O)[C@H]1O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ranunculus Ternatus (Plant) Rel Props:Source_db:cmaup_ingredients