1.0 2010-04-08 22:14:01 UTC 2019-11-26 03:16:54 UTC FDB018925 5-O-Galloylhamamelofuranose Isolated from Castanea crenata (Japanese chestnut). 5-O-Galloylhamamelofuranose is found in nuts. 5-O-Galloylhamamelofuranose C13H16O10 332.2601 332.074346732 [3,4,5-trihydroxy-4-(hydroxymethyl)oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate [3,4,5-trihydroxy-4-(hydroxymethyl)oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate 90275-97-1 OCC1(O)C(O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1O InChI=1S/C13H16O10/c14-4-13(21)10(18)8(23-12(13)20)3-22-11(19)5-1-6(15)9(17)7(16)2-5/h1-2,8,10,12,14-18,20-21H,3-4H2 VGGLWNMXAJJMPA-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 Benzoyl derivatives Carboxylic acid esters Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and 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 Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Galloyl ester Hemiacetal Hydrocarbon derivative M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives 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 -0.74 ALOGPS logs -1.33 ALOGPS solubility 1.56e+01 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac [3,4,5-trihydroxy-4-(hydroxymethyl)oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 332.2601 ChemAxon mono_mass 332.074346732 ChemAxon smiles OCC1(O)C(O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1O ChemAxon formula C13H16O10 ChemAxon inchi InChI=1S/C13H16O10/c14-4-13(21)10(18)8(23-12(13)20)3-22-11(19)5-1-6(15)9(17)7(16)2-5/h1-2,8,10,12,14-18,20-21H,3-4H2 ChemAxon inchikey VGGLWNMXAJJMPA-UHFFFAOYSA-N ChemAxon polar_surface_area 177.14 ChemAxon refractivity 71.91 ChemAxon polarizability 30.58 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12373 Specdb::CMs 46380 Specdb::CMs 132667 Specdb::CMs 140401 Specdb::NmrOneD 32522 Specdb::NmrOneD 32523 Specdb::NmrOneD 32524 Specdb::NmrOneD 32525 Specdb::NmrOneD 32526 Specdb::NmrOneD 32527 Specdb::NmrOneD 32528 Specdb::NmrOneD 32529 Specdb::NmrOneD 32530 Specdb::NmrOneD 32531 Specdb::NmrOneD 32532 Specdb::NmrOneD 32533 Specdb::NmrOneD 32534 Specdb::NmrOneD 32535 Specdb::NmrOneD 32536 Specdb::NmrOneD 32537 Specdb::NmrOneD 32538 Specdb::NmrOneD 32539 Specdb::NmrOneD 32540 Specdb::NmrOneD 32541 Specdb::MsMs 58965 Specdb::MsMs 58966 Specdb::MsMs 58967 Specdb::MsMs 114999 Specdb::MsMs 115000 Specdb::MsMs 115001 Specdb::MsMs 2731956 Specdb::MsMs 2731957 Specdb::MsMs 2731958 Specdb::MsMs 2976314 Specdb::MsMs 2976315 Specdb::MsMs 2976316 HMDB39366 #<Reference:0x000055ce322c2968> Nuts Unknown generic