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113737-61-4 | Alanine, 2-methyl-3-[(phenylmethyl)sulfonyl]-
CAS No: 113737-61-4 Catalog No: AG0009HL MDL No:
Product Description
Catalog Number:
AG0009HL
Chemical Name:
Alanine, 2-methyl-3-[(phenylmethyl)sulfonyl]-
CAS Number:
113737-61-4
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
IUPAC Name:
(2R)-2-amino-3-benzylsulfonyl-2-methylpropanoic acid
InChI:
InChI=1S/C11H15NO4S/c1-11(12,10(13)14)8-17(15,16)7-9-5-3-2-4-6-9/h2-6H,7-8,12H2,1H3,(H,13,14)/t11-/m0/s1
InChI Key:
BYMBWHMDXNABPE-NSHDSACASA-N
SMILES:
OC(=O)[C@](CS(=O)(=O)Cc1ccccc1)(N)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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