1.0 2010-04-08 22:06:36 UTC 2025-11-18 22:58:37 UTC FDB005249 Crocose Crocose, also known as D-altro-3-heptulose, is a member of the class of compounds known as heptoses. Heptoses are monosaccharides in which the sugar unit is a seven-carbon containing moeity. Crocose is soluble (in water) and a very weakly acidic compound (based on its pKa). Crocose can be found in saffron, which makes crocose a potential biomarker for the consumption of this food product. C7H14O7 210.182 210.073952791 (2R,4R,5R,6R)-1,2,4,5,6,7-hexahydroxyheptan-3-one (2R,4R,5R,6R)-1,2,4,5,6,7-hexahydroxyheptan-3-one 13059-96-6 [H][C@@](O)(CO)C(=O)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-5,7-12,14H,1-2H2/t3-,4-,5-,7-/m1/s1 INYHXAFWZQXELF-FNKGTGPASA-N belongs to the class of organic compounds known as heptoses. These are monosaccharides in which the sugar unit is a seven-carbon containing moeity. Heptoses Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic acyclic compounds Acyloins Alpha-hydroxy ketones Beta-hydroxy ketones Hydrocarbon derivatives Organic oxides Polyols Primary alcohols Secondary alcohols Acyloin Alcohol Aliphatic acyclic compound Alpha-hydroxy ketone Beta-hydroxy ketone Carbonyl group Heptose monosaccharide Hydrocarbon derivative Ketone Organic oxide Polyol Primary alcohol Secondary alcohol logp -2.52 ALOGPS logs -0.01 ALOGPS solubility 2.04e+02 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 8.38 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,4R,5R,6R)-1,2,4,5,6,7-hexahydroxyheptan-3-one ChemAxon average_mass 210.182 ChemAxon mono_mass 210.073952791 ChemAxon smiles [H][C@@](O)(CO)C(=O)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO ChemAxon formula C7H14O7 ChemAxon inchi InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-5,7-12,14H,1-2H2/t3-,4-,5-,7-/m1/s1 ChemAxon inchikey INYHXAFWZQXELF-FNKGTGPASA-N ChemAxon polar_surface_area 138.45 ChemAxon refractivity 43.6 ChemAxon polarizability 18.94 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 66924 Specdb::MsMs 66925 Specdb::MsMs 66926 Specdb::MsMs 124611 Specdb::MsMs 124612 Specdb::MsMs 124613 Specdb::MsMs 3601514 Specdb::MsMs 3601515 Specdb::MsMs 3601516 Specdb::MsMs 3601517 Specdb::MsMs 3601518 Specdb::MsMs 3601519 Saffron Type 1 specific Crocus sativus 82528