1.0 2010-04-08 22:14:43 UTC 2019-11-26 03:18:12 UTC FDB019978 Glucosereductone Present in free and conjugated form in botrytised wines. Glucosereductone is found in alcoholic beverages. Glucic acid Glucose-reductone Glucosereductone Hydroxy-propanedial Propanedial, hydroxy- Propanedial, hydroxy- (9CI) Reductone Tartronal Tartronaldehyde Tartronic aldehyde Triose reductone C3H4O3 88.0621 88.016043994 2-hydroxypropanedial glucic acid 497-15-4 OC(C=O)C=O InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H NVXLIZQNSVLKPO-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group. 1,3-dicarbonyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Alpha-hydroxyaldehydes Hydrocarbon derivatives Organic oxides Secondary alcohols Short-chain aldehydes 1,3-dicarbonyl compound Alcohol Aldehyde Aliphatic acyclic compound Alpha-hydroxyaldehyde Hydrocarbon derivative Organic oxide Secondary alcohol Short-chain aldehyde logp -0.80 ALOGPS logs 0.71 ALOGPS solubility 4.53e+02 g/l ALOGPS melting_point Mp 143° dec. logp -1.4 ChemAxon pka_strongest_acidic 7.53 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2-hydroxypropanedial ChemAxon average_mass 88.0621 ChemAxon mono_mass 88.016043994 ChemAxon smiles OC(C=O)C=O ChemAxon formula C3H4O3 ChemAxon inchi InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H ChemAxon inchikey NVXLIZQNSVLKPO-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 18.48 ChemAxon polarizability 7.23 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10630 Specdb::CMs 46718 Specdb::CMs 133070 Specdb::CMs 140804 Specdb::MsIr 8862 Specdb::MsIr 8863 Specdb::MsIr 8864 Specdb::MsMs 289423 Specdb::MsMs 289424 Specdb::MsMs 289425 Specdb::MsMs 328840 Specdb::MsMs 328841 Specdb::MsMs 328842 Specdb::MsMs 2687061 Specdb::MsMs 2687062 Specdb::MsMs 2687063 Specdb::MsMs 2991809 Specdb::MsMs 2991810 Specdb::MsMs 2991811 Specdb::NmrOneD 39402 Specdb::NmrOneD 39403 Specdb::NmrOneD 39404 Specdb::NmrOneD 39405 Specdb::NmrOneD 39406 Specdb::NmrOneD 39407 Specdb::NmrOneD 39408 Specdb::NmrOneD 39409 Specdb::NmrOneD 39410 Specdb::NmrOneD 39411 Specdb::NmrOneD 39412 Specdb::NmrOneD 39413 Specdb::NmrOneD 39414 Specdb::NmrOneD 39415 Specdb::NmrOneD 39416 Specdb::NmrOneD 39417 Specdb::NmrOneD 39418 Specdb::NmrOneD 39419 Specdb::NmrOneD 39420 Specdb::NmrOneD 39421 HMDB40261 #<Reference:0x000055ce31f39d28> #<Reference:0x000055ce31f39b70> Alcoholic beverages Unknown generic