1.0 2010-04-08 22:12:18 UTC 2019-11-26 03:12:52 UTC FDB016207 5-Galloyl-1,4-galactarolactone Consist. of the fruit of emblic (Phyllanthus emblica). 5-Galloyl-1,4-galactarolactone is found in fruits. 5-Galloyl-1,4-galactarolactone 5-O-Galloyl-1,4-galactarolactone C13H12O11 344.2278 344.037961226 2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetic acid (3,4-dihydroxy-5-oxooxolan-2-yl)(3,4,5-trihydroxybenzoyloxy)acetic acid OC1C(O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10(11(19)20)9-7(17)8(18)13(22)23-9/h1-2,7-10,14-18H,(H,19,20) SVYWZVZMBHFNGC-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 Carbonyl compounds Carboxylic acid esters Carboxylic acids Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyrogallols and derivatives Secondary alcohols Tetrahydrofurans Tricarboxylic acids and derivatives 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 Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Galloyl ester Gamma butyrolactone Hydrocarbon derivative Lactone M-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative Secondary alcohol Tetrahydrofuran Tricarboxylic acid or derivatives logp 0.67 ALOGPS logs -1.59 ALOGPS solubility 8.95e+00 g/l ALOGPS logp -0.84 ChemAxon pka_strongest_acidic 2.61 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-(3,4,5-trihydroxybenzoyloxy)acetic acid ChemAxon average_mass 344.2278 ChemAxon mono_mass 344.037961226 ChemAxon smiles OC1C(O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O ChemAxon formula C13H12O11 ChemAxon inchi InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)24-10(11(19)20)9-7(17)8(18)13(22)23-9/h1-2,7-10,14-18H,(H,19,20) ChemAxon inchikey SVYWZVZMBHFNGC-UHFFFAOYSA-N ChemAxon polar_surface_area 191.05 ChemAxon refractivity 70.41 ChemAxon polarizability 29.41 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19359 Specdb::CMs 45263 Specdb::CMs 149896 Specdb::NmrOneD 139490 Specdb::NmrOneD 139491 Specdb::NmrOneD 139492 Specdb::NmrOneD 139493 Specdb::NmrOneD 139494 Specdb::NmrOneD 139495 Specdb::NmrOneD 139496 Specdb::NmrOneD 139497 Specdb::NmrOneD 139498 Specdb::NmrOneD 139499 Specdb::NmrOneD 139500 Specdb::NmrOneD 139501 Specdb::NmrOneD 139502 Specdb::NmrOneD 139503 Specdb::NmrOneD 139504 Specdb::NmrOneD 139505 Specdb::NmrOneD 139506 Specdb::NmrOneD 139507 Specdb::NmrOneD 139508 Specdb::NmrOneD 139509 Specdb::MsMs 7223 Specdb::MsMs 7224 Specdb::MsMs 7225 Specdb::MsMs 13895 Specdb::MsMs 13896 Specdb::MsMs 13897 Specdb::MsMs 2360126 Specdb::MsMs 2360127 Specdb::MsMs 2360128 Specdb::MsMs 2606263 Specdb::MsMs 2606264 Specdb::MsMs 2606265 HMDB37202 #<Reference:0x000055ce31d097d8> Fruits Unknown generic