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100466-76-0 | L-Aspartic acid, N-sulfo-
CAS No: 100466-76-0 Catalog No: AG000224 MDL No:
Product Description
Catalog Number:
AG000224
Chemical Name:
L-Aspartic acid, N-sulfo-
CAS Number:
100466-76-0
Molecular Formula:
C4H7NO7S
Molecular Weight:
213.1659
IUPAC Name:
(2S)-2-(sulfoamino)butanedioic acid
InChI:
InChI=1S/C4H7NO7S/c6-3(7)1-2(4(8)9)5-13(10,11)12/h2,5H,1H2,(H,6,7)(H,8,9)(H,10,11,12)/t2-/m0/s1
InChI Key:
LWYJYUHXHRXFHU-REOHCLBHSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)NS(=O)(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
212.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
213.16g/mol
Monoisotopic Mass:
212.994g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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