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  • Calcium N5-methyltetrahydrofolate
Name:Calcium N5-methyltetrahydrofolate
CAS No:26560-38-3

PRODUCT DESCRIPTION

【Name】
Calcium N5-methyltetrahydrofolate
【Iupac name】
calcium;
2-[[4-[(2-amino-5-methyl-4-oxo-1,6,7,
8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;
hydride
【CAS Registry number】
26560-38-3
【Synonyms】
Glutamicacid, N-[p-[[(2-amino-5,6,7,8-tetrahydro-4-hydroxy-5-methyl-6-pteridinyl)methyl]amino]benzoyl]-,calcium salt (1:1), L- (8CI)
L-Glutamic acid,N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-,calcium salt (1:1) (9CI)
NSC 173328
L-Glutamic acid,N-[4-[[(2-amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-,calcium salt (1:1)
【Molecular Formula】
C20H25CaN7O6 (Products with the same molecular formula)
【Molecular Weight】
499.5338 g/mol
【Inchi】
InChI=1/C20H25N7O6.Ca.2H/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;;;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);;;/q;+2;2*-1
【Canonical SMILES】
[H-].[H-].CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.[Ca+2]
【MOL File】
26560-38-3.mol

Chemical and Physical Properties

【Computed Properties】
Molecular Weight:501.54968 [g/mol]
Molecular Formula:C20H27CaN7O6
H-Bond Donor:7
H-Bond Acceptor:9
Rotatable Bond Count:9
Tautomer Count:85
Exact Mass:501.164873
MonoIsotopic Mass:501.164873
Topological Polar Surface Area:199
Heavy Atom Count:34
Formal Charge:0
Complexity:865
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:4

Safety and Handling

【Specification】

 Calcium N5-methyltetrahydrofolate , its cas register number 26560-38-3. It also can be called Calcium methyltetrahydrofolate .

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