AG00C95H

3432-99-3 | 5，10-METHYLENETETRAHYDROFOLATE

AG00C95H

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CAS Number	3432-99-3
Catalog Number	AG00C95H(AGN-PC-0R9PTG)
Chemical Name	5，10-METHYLENETETRAHYDROFOLATE
IUPAC Name	(2S)-2-[[4-(3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid
InChI	InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12?,13-/m0/s1
InChI Key	QYNUQALWYRSVHF-ABLWVSNPSA-N
MDL Number	MFCD19443704
Molecular Formula	C20H23N7O6
Molecular Weight	457.4399
SMILES	NC(NC2=C1N(CN(C4=CC=C(C=C4)C(N[C@H](C(O)=O)CCC(O)=O)=O)C3)C3CN2)=NC1=O
Synonyms	5,10-methylene-5,6,7,8-tetrahydrofolate, 5,10-methylenetetrahydrofolate, 5,10-methylenetetrahydrofolate monohydrochloride, (L-Glu)-isomer, 5,10-methylenetetrahydrofolate, (D-Glu)-isomer, 5,10-methylenetetrahydrofolate, (L-Glu)-(S)-isomer, 5,10-methylenetetrahydrofolic acid, CH2H4fol, CH2H4folate, N5,N10-methylene-5,6,7,8-tetrahydrofolic acid, tetrahydromethylenefolate, 5,10-Methylenetetrahydrofolic acid, FOLITIXORIN, MTHF, 3432-99-3, 5,10-methylenetetrahydrofolate, 5,10-Methylene-tetrahydrofolate, CHEBI:20502, CH2H4folate, L-Glutamic acid,N-[4-(3-amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]-, Tetrahydromethylenefolate, N-(4-(3-Amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo(1,5-f)pteridin-8(9H)-yl)benzoyl)-L-glutamic acid, N-{4-[3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid, Folitixorin [INN], N5,N10-Methyl-enetetrahydrofolic Acid, N5,N10-Methylenetetrahydropteroylglutamic Acid, (+)-5,10-Methylene-5,6,7,8-tetrahydrofolic Acid, 5,10-Methylene-5,6,7,8-tetrahydrofolate, N-[4-(3-Amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]-L-glutamic Acid, methylenetetrahydrofolate, AC1Q5QRC, AC1L33IQ, CHEMBL117348, SCHEMBL4097748, SCHEMBL16413214, 5,10-CH2-THF, QYNUQALWYRSVHF-ABLWVSNPSA-N, MFCD19443704, Folitixorin(Mixture of Diastereomers), AKOS027326613, N5,N10-methylene-tetrahydrofolic acid, 5,10-Methylenetetrahydrofolate (MTHF), n-[4-(3-amino-1-hydroxy-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9h)-yl)benzoyl]-l-glutamic acid, FT-0668798, (2S)-2-[[4-(3-amino-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid, L-Glutamic acid, N-(4-(3-amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo(1,5-f)pteridin-8(9H)-yl)benzoyl)-, cofactor, CH2H4fol, UNII-0SXY5ET48B, 5-MTHF, D01YKI, D02DPP, 0SXY5ET48B, ANX-510, C20H23N7O6, AR-1K4004, CID108194, C20-H23-N7-O6, 5,10-methylenetetrahydrofolate, (D-Glu)-isomer, C013123, N5,N10-methylene-5,6,7,8-tetrahydrofolic acid, 5,10-methylenetetrahydrofolate, (L-Glu)-(S)-isomer, 5,10-methylenetetrahydrofolate monohydrochloride, (L-Glu)-isomer, 22179-47-1, L-Glutamic acid, N-[4-(3-amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]-, N-[4-(3-amino-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]-L-glutamic acid, N-[4-[2-Amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-ylmethylamino]benzoyl]-L-glutamic acid,

Complexity	911
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	457.171g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	457.447g/mol
Monoisotopic Mass	457.171g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	190A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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