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13934-03-7 | L-Glutamic acid, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-
CAS No: 13934-03-7 Catalog No: AG001ASL MDL No:MFCD06809726
Product Description
Catalog Number:
AG001ASL
Chemical Name:
L-Glutamic acid, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-
CAS Number:
13934-03-7
Molecular Formula:
C13H16N2O6
Molecular Weight:
296.2759
MDL Number:
MFCD06809726
IUPAC Name:
(2S)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]pentanedioic acid
InChI:
InChI=1S/C13H16N2O6/c1-7-12(19)9(8(6-16)4-14-7)5-15-10(13(20)21)2-3-11(17)18/h4-5,10,16,19H,2-3,6H2,1H3,(H,17,18)(H,20,21)/t10-/m0/s1
InChI Key:
KDIGYCWRAAYWTQ-JTQLQIEISA-N
SMILES:
OCc1cnc(c(c1C=N[C@H](C(=O)O)CCC(=O)O)O)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
296.279g/mol
Monoisotopic Mass:
296.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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