1.0 2010-04-08 22:09:54 UTC 2019-11-26 03:05:47 UTC FDB011943 Hamamelitannin Isolated from Castanea sativa (sweet chestnut). Hamamelitannin is found in nuts. 2,3-Di-O-galloyl-D-glucose 2,3-Digalloylglucose 2',5-Digalloylhamamelofuranose Hamamelitannin C20H20O14 484.3644 484.085305348 {3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl}methyl 3,4,5-trihydroxybenzoate {3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl}methyl 3,4,5-trihydroxybenzoate 469-32-9 OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2 FEPAFOYQTIEEIS-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 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Carboxylic acid esters Dicarboxylic acids and derivatives Hemiacetals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pentoses Pyrogallols and derivatives Secondary alcohols Tertiary alcohols Tetrahydrofurans m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1,2-diol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Galloyl ester Hemiacetal 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 Pyrogallol derivative Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 0.89 ALOGPS logs -2.72 ALOGPS solubility 9.24e-01 g/l ALOGPS melting_point Mp 146-147° logp 0.1 ChemAxon pka_strongest_acidic 7.81 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac {3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl}methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 484.3644 ChemAxon mono_mass 484.085305348 ChemAxon smiles OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C20H20O14 ChemAxon inchi InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2 ChemAxon inchikey FEPAFOYQTIEEIS-UHFFFAOYSA-N ChemAxon polar_surface_area 243.9 ChemAxon refractivity 107.67 ChemAxon polarizability 45.03 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23138 Specdb::CMs 43503 Specdb::CMs 167218 Specdb::MsMs 10463 Specdb::MsMs 10464 Specdb::MsMs 10465 Specdb::MsMs 17135 Specdb::MsMs 17136 Specdb::MsMs 17137 Specdb::MsMs 2389013 Specdb::MsMs 2389014 Specdb::MsMs 2389015 Specdb::MsMs 2573231 Specdb::MsMs 2573232 Specdb::MsMs 2573233 HMDB33785 #<Reference:0x000055ce3194cc58> Nuts Unknown generic