1.0 2016-09-30 23:22:27 UTC 2020-04-22 15:17:34 UTC BMDB0006485 BMDB06485 10-formyldihydrofolate 10-Formyl-7,8-dihydrofolate N-(10-Formyl-7,8-dihydropteroyl)-L-glutamate 10-Formyl-7,8-dihydrofolic acid N-(10-Formyl-7,8-dihydropteroyl)-L-glutamic acid 10-Formyldihydrofolic acid 10-Formyldihydropteroylglutamate 10-Formyldihydrofolate C20H21N7O7 471.4234 471.150246061 (2S)-2-[(4-{N-[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]formamido}phenyl)formamido]pentanedioic acid 10-formyldihydrofolic acid 28459-40-7 NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1 InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t13-/m0/s1 UXFQDXABPXWSTK-ZDUSSCGKSA-N belongs to the class of organic compounds known as dihydrofolic acids and derivatives. These are heterocyclic compounds based on the 5,6-dihydropteroic acid/7,8-dihydropteroic acid skeleton conjugated with one or more L-glutamic acid units (or derivative thereof). Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Dihydrofolic acids and derivatives Acylaminobenzoic acid and derivatives Amino acids Aminopyrimidines and derivatives Anilides Azacyclic compounds Benzoyl derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Glutamic acid and derivatives Heteroaromatic compounds Hippuric acids Hydrocarbon derivatives Ketimines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Primary amines Propargyl-type 1,3-dipolar organic compounds Pyrimidones Secondary alkylarylamines Secondary carboxylic acid amides Tertiary carboxylic acid amides Vinylogous amides Acylaminobenzoic acid or derivatives Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aminopyrimidine Anilide Aromatic heteropolycyclic compound Azacycle Benzamide Benzenoid Benzoic acid or derivatives Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Dihydrofolic acid or derivatives Glutamic acid or derivatives Heteroaromatic compound Hippuric acid Hippuric acid or derivatives Hydrocarbon derivative Imine Ketimine Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Propargyl-type 1,3-dipolar organic compound Pyrimidine Pyrimidone Secondary aliphatic/aromatic amine Secondary amine Secondary carboxylic acid amide Tertiary carboxylic acid amide Vinylogous amide Aromatic heteropolycyclic compounds dihydrofolic acids Solid logp -1.26 ALOGPS logs -3.66 ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 2.96 ChemAxon pka_strongest_basic 3.51 ChemAxon iupac (2S)-2-[(4-{N-[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]formamido}phenyl)formamido]pentanedioic acid ChemAxon average_mass 471.4234 ChemAxon mono_mass 471.150246061 ChemAxon smiles NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1 ChemAxon formula C20H21N7O7 ChemAxon inchi InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t13-/m0/s1 ChemAxon inchikey UXFQDXABPXWSTK-ZDUSSCGKSA-N ChemAxon polar_surface_area 215.88 ChemAxon refractivity 124.49 ChemAxon polarizability 44.82 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 11 ChemAxon donor_count 6 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::MsMs 323248 Specdb::MsMs 323249 Specdb::MsMs 323250 Specdb::MsMs 371359 Specdb::MsMs 371360 Specdb::MsMs 371361 Specdb::MsMs 2450305 Specdb::MsMs 2450306 Specdb::MsMs 2450307 Specdb::MsMs 2488308 Specdb::MsMs 2488309 Specdb::MsMs 2488310 Specdb::NmrOneD 11022 Specdb::NmrOneD 11023 Specdb::NmrOneD 11024 Specdb::NmrOneD 11025 Specdb::NmrOneD 11026 Specdb::NmrOneD 11027 Specdb::NmrOneD 11028 Specdb::NmrOneD 11029 Specdb::NmrOneD 11030 Specdb::NmrOneD 11031 Specdb::NmrOneD 11032 Specdb::NmrOneD 11033 Specdb::NmrOneD 11034 Specdb::NmrOneD 11035 Specdb::NmrOneD 11036 Specdb::NmrOneD 11037 Specdb::NmrOneD 11038 Specdb::NmrOneD 11039 Specdb::NmrOneD 11040 Specdb::NmrOneD 11041 Specdb::CMs 25825 Specdb::CMs 39026 Specdb::CMs 134616 Specdb::CMs 142350 FDB023935 147665 C03204 168809 15634 2304175