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819863-37-1 | L-Alanine, N-(3-sulfopropyl)-
CAS No: 819863-37-1 Catalog No: AG005ETN MDL No:
Product Description
Catalog Number:
AG005ETN
Chemical Name:
L-Alanine, N-(3-sulfopropyl)-
CAS Number:
819863-37-1
Molecular Formula:
C6H13NO5S
Molecular Weight:
211.2361
IUPAC Name:
(2S)-2-(3-sulfopropylamino)propanoic acid
InChI:
InChI=1S/C6H13NO5S/c1-5(6(8)9)7-3-2-4-13(10,11)12/h5,7H,2-4H2,1H3,(H,8,9)(H,10,11,12)/t5-/m0/s1
InChI Key:
PBUXLNJKWIUUMX-YFKPBYRVSA-N
SMILES:
OC(=O)[C@@H](NCCCS(=O)(=O)O)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
211.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.232g/mol
Monoisotopic Mass:
211.051g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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