1.0 2010-04-08 22:14:01 UTC 2019-11-26 03:16:54 UTC FDB018926 1,2'-Di-O-galloylhamamelofuranose Isolated from the bark of Castanea crenata (Japanese chestnut). 1,2'-Di-O-galloylhamamelofuranose is found in nuts. 1,2'-Di-O-galloylhamamelofuranose C20H20O14 484.3644 484.085305348 3,4-dihydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate 3,4-dihydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate 90275-98-2 OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1O InChI=1S/C20H20O14/c21-5-13-16(28)20(31,6-32-17(29)7-1-9(22)14(26)10(23)2-7)19(33-13)34-18(30)8-3-11(24)15(27)12(25)4-8/h1-4,13,16,19,21-28,31H,5-6H2 YLVZUMVQGWGBQX-UHFFFAOYSA-N belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. Galloyl esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Carboxylic acid esters Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pentoses Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols Tertiary alcohols Tetrahydrofurans m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Galloyl ester Hydrocarbon derivative M-hydroxybenzoic acid ester Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Pentose monosaccharide Phenol Polyol Primary alcohol Pyrogallol derivative Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 0.82 ALOGPS logs -2.61 ALOGPS solubility 1.18e+00 g/l ALOGPS melting_point Mp 216° logp 0.1 ChemAxon pka_strongest_acidic 7.79 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 3,4-dihydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 484.3644 ChemAxon mono_mass 484.085305348 ChemAxon smiles OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1O ChemAxon formula C20H20O14 ChemAxon inchi InChI=1S/C20H20O14/c21-5-13-16(28)20(31,6-32-17(29)7-1-9(22)14(26)10(23)2-7)19(33-13)34-18(30)8-3-11(24)15(27)12(25)4-8/h1-4,13,16,19,21-28,31H,5-6H2 ChemAxon inchikey YLVZUMVQGWGBQX-UHFFFAOYSA-N ChemAxon polar_surface_area 243.9 ChemAxon refractivity 107.67 ChemAxon polarizability 44.06 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21629 Specdb::CMs 46381 Specdb::CMs 149493 Specdb::MsMs 53532 Specdb::MsMs 53533 Specdb::MsMs 53534 Specdb::MsMs 114942 Specdb::MsMs 114943 Specdb::MsMs 114944 Specdb::MsMs 2454088 Specdb::MsMs 2454089 Specdb::MsMs 2454090 Specdb::MsMs 2485434 Specdb::MsMs 2485435 Specdb::MsMs 2485436 HMDB39367 #<Reference:0x000055ce32f2caa0> Nuts Unknown generic