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41089-47-8 | L-Glutamic acid, 1-methyl 5-(phenylmethyl) ester, hydrochloride (1:1)
CAS No: 41089-47-8 Catalog No: AG0039UD MDL No:
Product Description
Catalog Number:
AG0039UD
Chemical Name:
L-Glutamic acid, 1-methyl 5-(phenylmethyl) ester, hydrochloride (1:1)
CAS Number:
41089-47-8
Molecular Formula:
C13H18ClNO4
Molecular Weight:
287.7393
IUPAC Name:
5-O-benzyl 1-O-methyl 2-aminopentanedioate;hydrochloride
InChI:
InChI=1S/C13H17NO4.ClH/c1-17-13(16)11(14)7-8-12(15)18-9-10-5-3-2-4-6-10;/h2-6,11H,7-9,14H2,1H3;1H
InChI Key:
YLWYAYSABPDJPX-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](CCC(=O)OCc1ccccc1)N.Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.74g/mol
Monoisotopic Mass:
287.092g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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