1.0 2010-04-08 22:08:01 UTC 2020-02-24 19:10:53 UTC FDB008325 Daucic acid Found in wheat, sugar beet and sunflower (-)-daucic acid 2,6-Anhydro-3-deoxy-D-lyxo-hept-2-enaric acid 2,6-Anhydro-3-deoxy-D-xylo-hept-2-enaric acid, 9CI C7H8O7 204.1342 204.02700261 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid 34098-52-7 OC1C=C(OC(C1O)C(O)=O)C(O)=O InChI=1S/C7H8O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1-2,4-5,8-9H,(H,10,11)(H,12,13) KUKCUROTFRBUNU-UHFFFAOYSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Beta hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Aliphatic heteromonocyclic compounds 1,2-diols Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyrans Secondary alcohols 1,2-diol Alcohol Aliphatic heteromonocyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Secondary alcohol logp -0.98 ALOGPS logs -0.34 ALOGPS solubility 9.34e+01 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 2.85 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid ChemAxon average_mass 204.1342 ChemAxon mono_mass 204.02700261 ChemAxon smiles OC1C=C(OC(C1O)C(O)=O)C(O)=O ChemAxon formula C7H8O7 ChemAxon inchi InChI=1S/C7H8O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1-2,4-5,8-9H,(H,10,11)(H,12,13) ChemAxon inchikey KUKCUROTFRBUNU-UHFFFAOYSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 40.95 ChemAxon polarizability 16.98 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19646 Specdb::CMs 42566 Specdb::CMs 159304 Specdb::MsMs 72003 Specdb::MsMs 72004 Specdb::MsMs 72005 Specdb::MsMs 130791 Specdb::MsMs 130792 Specdb::MsMs 130793 Specdb::MsMs 2430511 Specdb::MsMs 2430512 Specdb::MsMs 2430513 Specdb::MsMs 2508799 Specdb::MsMs 2508800 Specdb::MsMs 2508801 Specdb::NmrOneD 19622 Specdb::NmrOneD 19623 Specdb::NmrOneD 19624 Specdb::NmrOneD 19625 Specdb::NmrOneD 19626 Specdb::NmrOneD 19627 Specdb::NmrOneD 19628 Specdb::NmrOneD 19629 Specdb::NmrOneD 19630 Specdb::NmrOneD 19631 Specdb::NmrOneD 19632 Specdb::NmrOneD 19633 Specdb::NmrOneD 19634 Specdb::NmrOneD 19635 Specdb::NmrOneD 19636 Specdb::NmrOneD 19637 Specdb::NmrOneD 19638 Specdb::NmrOneD 19639 Specdb::NmrOneD 19640 Specdb::NmrOneD 19641 HMDB31665 #<Reference:0x000055ce32b97ac0> #<Reference:0x000055ce32b97908> Breakfast cereal Type 2 specific Carrot Type 1 specific Daucus carota ssp. sativus 79200 Cereals and cereal products Unknown generic Red beetroot Type 1 specific Beta vulgaris var. rubra Root vegetables Unknown generic Sunflower Type 1 specific Helianthus annuus 4232 Wild carrot Type 1 specific Daucus carota 4039