Pantolactone
PubChem CID: 439368
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| Compound Synonyms | D-(-)-Pantolactone, 599-04-2, PANTOLACTONE, D-Pantolactone, (R)-pantolactone, (R)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one, pantoyl lactone, D-(-)-Pantoyl Lactone, (R)-Pantoyl lactone, Pantothenic lactone, (3R)-3-hydroxy-4,4-dimethyloxolan-2-one, (R)-(-)-Pantolactone, 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (3R)-, Pantolactone, (R)-, (3R)-dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, J288D7O0JS, EINECS 209-963-3, PANTOLACTONE [MI], PANTOLACTONE [USP-RS], PANTOLACTONE, (-)-, PANTOLACTONE, R-ISOMER, (R)-(-)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (R)-, PANTOLACTONE, R-(-)-, CHEBI:16719, DTXSID90881249, EC 209-963-3, (-)-2-Hydroxy-3,3-dimethyl-.gamma.-butyrolacton, (3R)-4,4-dimethyl-3-oxidanyl-oxolan-2-one, PANTOLACTONE (USP-RS), (3R)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one, Pantolyl lactone, (3R)-TETRAHYDRO-3-HYDROXY-4,4-DIMETHYLFURAN-2-ONE, (D)-Pantolactone, 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (theta)-, MFCD00005392, (R)-.ALPHA.-HYDROXY-.BETA.,.BETA.-DIMETHYL-.GAMMA.-BUTYROLACTONE, D-(-)-.ALPHA.-HYDROXY-.BETA.,.BETA.-DIMETHYL-.GAMMA.-BUTYROLACTONE, D-(-)-Pantolyl lactone, D-(-)-Pantoic acid lactone, alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone, Pantoic acid gamma-lactone, UNII-J288D7O0JS, 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, D-(-)-, NSC 5926, EINECS 201-210-7, NSC 135788, (3R)-3-hydroxy-4,4-dimethyl-tetrahydrofuran-2-one, AI3-23741, D-(?)-Pantolactone, EC 201-210-7, (R)-(-)pantolactone, Pantolactone (Standard), D(-)-2-Hydroxy-3,3-dimethyl-.gamma.-butyrolactone, (1)-Dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one, bmse000381, PANTOLACTONE [INCI], 3-Hydroxy-4,4-dimethyldihydro-2(3H)-furanone-, D-(-)- #, D-(-)-Pantolactone, 99%, D-(-)-.alpha.Hydroxy-.beta.,.beta.-dimethyl-.gamma.-butyrolactone, SCHEMBL1164270, CHEMBL4587869, DTXCID801079767, HY-W010396R, AC1149, s6027, AKOS006238310, CS-W011112, HY-W010396, AS-14054, DEXPANTHENOL IMPURITY C [EP IMPURITY], P0011, EN300-67110, C01012, (-)-2-Hydroxy-3,3-dimethyl-gamma-butyrolacton, D-(-)-Pantolactone, puriss., >=99.0% (T), dihydro-3-hydroxy-4,4-dimethyl- 2(3H)-Furanone, D-(-)-2-Hydroxy-3,3-dimethyl-gamma-butyrolactone, (R)-3-hydroxy-4,4-dimethyl-dihydrofuran-2(3H)-one, 2,4-dihydroxy-3,3-dimethylbutyric acid gamma-lactone, Q27102042, Z1065885480, (R)-ALPHA-HYDROXY-BETA,BETA-DIMETHYL-GAMMA-BUTYROLACTONE, (3R)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one (Pantolactone), D-(-)-ALPHA-HYDROXY-BETA,BETA-DIMETHYL-GAMMA-BUTYROLACTONE, Pantolactone, United States Pharmacopeia (USP) Reference Standard, Pantolactone, Pharmaceutical Secondary Standard, Certified Reference Material, (R)-(-)-Pantolactone Pantoic acid gamma-lactone (R)-(-)-beta,beta-Dimethyl-alpha-hydroxy-gamma-butyrolactone (R)-(-)-alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone (R)-(-)-4,5-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone D-(-)-alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Description | Flavouring compound [Flavornet] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-hydroxy-4,4-dimethyloxolan-2-one |
| Prediction Hob | 1.0 |
| Class | Lactones |
| Xlogp | 0.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Gamma butyrolactones |
| Molecular Formula | C6H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SERHXTVXHNVDKA-BYPYZUCNSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -1.077 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.759 |
| Synonyms | (3R)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, (R)-Pantoyl lactone, 2,4-Dihydroxy-3,3-dimethylbutyric acid gamma-lactone, Pantolactone, Pantolactone, (R)-isomer, Pantolactone, (S)-isomer, Pantolactone, 2-(14)C-labeled CPD, (+,-)-isomer, Pantoyl lactone |
| Compound Name | Pantolactone |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -0.9366866 |
| Inchi | InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1 |
| Smiles | CC1(COC(=O)[C@@H]1O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Gamma butyrolactones |
- 1. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ranunculus Ternatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all