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119027-81-5 | L-Glutamic acid, N-(3-hydroxy-1-oxopropyl)-
CAS No: 119027-81-5 Catalog No: AG000P3K MDL No:
Product Description
Catalog Number:
AG000P3K
Chemical Name:
L-Glutamic acid, N-(3-hydroxy-1-oxopropyl)-
CAS Number:
119027-81-5
Molecular Formula:
C8H13NO6
Molecular Weight:
219.1919
IUPAC Name:
(2S)-2-(3-hydroxypropanoylamino)pentanedioic acid
InChI:
InChI=1S/C8H13NO6/c10-4-3-6(11)9-5(8(14)15)1-2-7(12)13/h5,10H,1-4H2,(H,9,11)(H,12,13)(H,14,15)/t5-/m0/s1
InChI Key:
YAGDKAUDDVUJJZ-YFKPBYRVSA-N
SMILES:
OCCC(=O)N[C@H](C(=O)O)CCC(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
219.193g/mol
Monoisotopic Mass:
219.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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