1.02010-04-08 22:09:35 UTC2019-11-26 03:04:49 UTCFDB011326(4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-oneConstituent of Osmunda japonica (zenmai). (4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one is found in root vegetables.C6H10O3130.1418130.0629941864-hydroxy-6-methyloxan-2-one4-hydroxy-6-methyloxan-2-one33275-54-6CC1CC(O)CC(=O)O1InChI=1S/C6H10O3/c1-4-2-5(7)3-6(8)9-4/h4-5,7H,2-3H2,1H3KKZQBMBBMJKIRQ-UHFFFAOYSA-N belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.Delta valerolactonesOrganic compoundsOrganoheterocyclic compoundsLactonesDelta valerolactonesAliphatic heteromonocyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsOxanesSecondary alcoholsAlcoholAliphatic heteromonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDelta valerolactoneDelta_valerolactoneHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleOxaneSecondary alcohollogp-0.17logs0.46solubility3.73e+02 g/lmelting_pointMp 67-70°logp-0.29pka_strongest_acidic14.92pka_strongest_basic-2.8iupac4-hydroxy-6-methyloxan-2-oneaverage_mass130.1418mono_mass130.062994186smilesCC1CC(O)CC(=O)O1formulaC6H10O3inchiInChI=1S/C6H10O3/c1-4-2-5(7)3-6(8)9-4/h4-5,7H,2-3H2,1H3inchikeyKKZQBMBBMJKIRQ-UHFFFAOYSA-Npolar_surface_area46.53refractivity30.8polarizability12.92rotatable_bond_count0acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::CMs21613Specdb::CMs43216Specdb::CMs165514Specdb::NmrOneD119278Specdb::NmrOneD119279Specdb::NmrOneD119280Specdb::NmrOneD119281Specdb::NmrOneD119282Specdb::NmrOneD119283Specdb::NmrOneD119284Specdb::NmrOneD119285Specdb::NmrOneD119286Specdb::NmrOneD119287Specdb::NmrOneD119288Specdb::NmrOneD119289Specdb::NmrOneD119290Specdb::NmrOneD119291Specdb::NmrOneD119292Specdb::NmrOneD119293Specdb::NmrOneD119294Specdb::NmrOneD119295Specdb::NmrOneD119296Specdb::NmrOneD119297Specdb::MsMs13001Specdb::MsMs13002Specdb::MsMs13003Specdb::MsMs19673Specdb::MsMs19674Specdb::MsMs19675Specdb::MsMs2466222Specdb::MsMs2466223Specdb::MsMs2466224Specdb::MsMs2495825Specdb::MsMs2495826Specdb::MsMs2495827HMDB33302#<Reference:0x00005556763d9b28>Root vegetablesUnknowngeneric