AG009BK3

135-16-0 | Tetrahydrofolic acid

AG009BK3

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CAS Number	135-16-0
Catalog Number	AG009BK3(AGN-PC-0PKIJI)
Chemical Name	Tetrahydrofolic acid
EC Number	205-181-1
IUPAC Name	(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
InChI	InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1
InChI Key	MSTNYGQPCMXVAQ-KIYNQFGBSA-N
MDL Number	MFCD00135583
Molecular Formula	C19H23N7O6
Molecular Weight	445.4292
SMILES	O=C(O)CC[C@@H](C(O)=O)NC(C1=CC=C(NCC2NC3=C(NC(N)=NC3=O)NC2)C=C1)=O
Synonyms	5,6,7,8-tetrahydrofolic acid, 5,6,7,8-tetrahydrofolic acid, (D-(-))-isomer, 5,6,7,8-tetrahydrofolic acid, (L)-isomer, 5,6,7,8-tetrahydrofolic acid, ion (2-)-isomer, tetrahydrofolate, tetrahydrofolic acid, tetrahydropteroylglutamate, tetrahydrofolic acid, tetrahydrofolate, 135-16-0, Tetrahydropteroylglutamic acid, 5,6,7,8-tetrahydrofolic acid, tetrahydropteroylglutamate, L-5,6,7,8-Tetrahydrofolic acid, EINECS 205-181-1, 5,6,7,8-tetrahydrofolate, (6S)-tetrahydrofolate, tetrahydrafolate, tetra-H-folate, (2S)-2-(4-(((2-Amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid, CHEBI:20506, H4PteGlu, MSTNYGQPCMXVAQ-KIYNQFGBSA-N, C19H23N7O6, MFCD00135583, th-folate, folate-H4, (6S)-Tetrahydrofolic acid, N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid, tetrahydrofolyl-(L-Glu)n, tetrahydropteroyl mono-L-glutamate, Glutamic acid, N-(p-(((2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, L-, N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)glutamic acid, L-Tetrahydrofolic Acid, FH4, SCHEMBL82453, CHEMBL91866, AC1L3M37, GTPL4675, CHEMBL2021342, CHEBI:68512, KS-00000H5R, BDBM50022833, tetrahydrofolyl-poly(L-glutamic acid), DB00116, DS-7498, (2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, HY-14520, LS-71775, N-[4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl]-L-glutamic acid, CS-0003422, FT-0674997, Y1694, tetrahydrofolyl-poly(L-glutamic acid) macromolecule, J-006656, Tetrahydrofolic acid, >=65% (when packaged), powder, (2S)-2-(4-((2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methylamino)benzamido)pentanedioic acid, (2S)-2-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid, (S)-2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid, 2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid, L-Glutamic acid, N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-4-oxopteridinyl)methyl)amino)benzoyl)-, L-glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, L-Glutamic acid, N-[4-[[(2-amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, N-[(4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)carbonyl]poly(gamma-L-glutamyl)-L-glutamic acid, (6S)-H4folate, (6S)-THFA, D0H2QO, UNII-43ZWB253H4, BIT3012, 43ZWB253H4, CID91443, C19-H23-N7-O6, (6S)-5,6,7,8-TETRAHYDROFOLATE, (6S)-5,6,7,8-tetrahydropteroylglutamate, 5,6,7,8-Tetrahydropteroyl-L-glutamic acid, 5,6,7,8-tetrahydrofolic acid, (L)-isomer, N-(5,6,7,8-tetrahydropteroyl)-L-glutamic acid, 5,6,7,8-tetrahydrofolic acid, (D-(-))-isomer, 5,6,7,8-tetrahydrofolic acid, ion (2-)-isomer, C030371, 29347-89-5, THF, (2S)-2-[[4-[[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid, 2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, N-[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid,

Complexity	834
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	445.171g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	445.436g/mol
Monoisotopic Mass	445.171g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	207A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number