1.0 2016-09-30 22:51:37 UTC 2020-04-22 15:09:52 UTC BMDB0002140 BMDB02140 Pteroyl-D-glutamic acid Pteroyl-D-glutamate Antianemia factor apo-Folic Leucovorin Mission prenatal Mittafol MVC Plus N-Pteroyl-D-glutamic acid N-[4-[[(2-amino-5-Formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-D-glutamic acid Nifolin novo-Folacid Novofolacid Pteroylmonoglutamate Vitamin b11 Vitaped (2R)-2-[(4-{[(5-formyl-4-hydroxy-2-imino-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate C20H23N7O7 473.4393 473.165896125 (2R)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid Pga 54353-24-1 NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1 InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m1/s1 VVIAGPKUTFNRDU-ZGTCLIOFSA-N belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit. Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Tetrahydrofolic acids Amino acids Aminobenzamides Aminopyrimidines and derivatives Aniline and substituted anilines Azacyclic compounds Benzoyl derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Glutamic acid and derivatives Heteroaromatic compounds Hippuric acids Hydrocarbon derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalkylamines Primary amines Pyrimidones Secondary alkylarylamines Secondary carboxylic acid amides Tertiary carboxylic acid amides Vinylogous amides Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aminobenzamide Aminobenzoic acid or derivatives Aminopyrimidine Aniline or substituted anilines Aromatic heteropolycyclic compound Azacycle Benzamide Benzenoid Benzoic acid or derivatives Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Glutamic acid or derivatives Heteroaromatic compound Hippuric acid Hippuric acid or derivatives Hydrocarbon derivative Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalkylamine Primary amine Pyrimidine Pyrimidone Secondary aliphatic/aromatic amine Secondary amine Secondary carboxylic acid amide Tertiary carboxylic acid amide Tetrahydrofolic acid Vinylogous amide Aromatic heteropolycyclic compounds Solid logp -1.06 ALOGPS logs -3.20 ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 3.28 ChemAxon pka_strongest_basic 2.94 ChemAxon iupac (2R)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid ChemAxon average_mass 473.4393 ChemAxon mono_mass 473.165896125 ChemAxon smiles NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1 ChemAxon formula C20H23N7O7 ChemAxon inchi InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m1/s1 ChemAxon inchikey VVIAGPKUTFNRDU-ZGTCLIOFSA-N ChemAxon polar_surface_area 215.55 ChemAxon refractivity 126.46 ChemAxon polarizability 46.53 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 12512 Specdb::CMs 38287 Specdb::CMs 163870 Specdb::MsMs 293545 Specdb::MsMs 293546 Specdb::MsMs 293547 Specdb::MsMs 334033 Specdb::MsMs 334034 Specdb::MsMs 334035 Specdb::MsMs 2834037 Specdb::MsMs 2834038 Specdb::MsMs 2834039 Specdb::MsMs 2871779 Specdb::MsMs 2871780 Specdb::MsMs 2871781 Specdb::NmrOneD 109558 Specdb::NmrOneD 109559 Specdb::NmrOneD 109560 Specdb::NmrOneD 109561 Specdb::NmrOneD 109562 Specdb::NmrOneD 109563 Specdb::NmrOneD 109564 Specdb::NmrOneD 109565 Specdb::NmrOneD 109566 Specdb::NmrOneD 109567 Specdb::NmrOneD 109568 Specdb::NmrOneD 109569 Specdb::NmrOneD 109570 Specdb::NmrOneD 109571 Specdb::NmrOneD 109572 Specdb::NmrOneD 109573 Specdb::NmrOneD 109574 Specdb::NmrOneD 109575 Specdb::NmrOneD 109576 Specdb::NmrOneD 109577 FDB022864 49292 54575 D01211 474191 6507