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101399-43-3 | Alanine, benzyl ester, benzenesulfonate (6CI)
CAS No: 101399-43-3 Catalog No: AG0004DS MDL No:
Product Description
Catalog Number:
AG0004DS
Chemical Name:
Alanine, benzyl ester, benzenesulfonate (6CI)
CAS Number:
101399-43-3
Molecular Formula:
C16H19NO5S
Molecular Weight:
337.3908
IUPAC Name:
benzenesulfonic acid;benzyl (2S)-2-aminopropanoate
InChI:
InChI=1S/C10H13NO2.C6H6O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;7-10(8,9)6-4-2-1-3-5-6/h2-6,8H,7,11H2,1H3;1-5H,(H,7,8,9)/t8-;/m0./s1
InChI Key:
NMAWDKFSKUHNLF-QRPNPIFTSA-N
SMILES:
OS(=O)(=O)c1ccccc1.C[C@@H](C(=O)OCc1ccccc1)N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
337.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.39g/mol
Monoisotopic Mass:
337.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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