D-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

HCID 2802425CAS 41036-32-2

Basic information

Standard SMILES
C[C@@H](N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1
InChIKey
NWOPHJSSBMABBD-DDWIOCJRSA-N
Molecular formula
C17H21NO5S
Average molar mass
351.4 g/mol

Names & identifiers

Preferred name
D-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
IUPAC
benzyl (2R)-2-aminopropanoate;4-methylbenzenesulfonic acid

Names & synonyms

41036-32-2O-Benzyl-D-alanine toluene-p-sulphonateRefChem:1082848D-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)255-185-2H-D-Ala-OBzl.TosOHD-Alanine benzyl ester tosylateD-Alanine benzyl ester p-toluenesulfonate saltD-Alanine Benzyl Ester p-ToluenesulfonateH-D-Ala-OBzl.Tos-OHMFCD00039092benzyl (2R)-2-aminopropanoate;4-methylbenzenesulfonic acid
Show more names
Maybridge1_002479EINECS 255-185-2SCHEMBL719791D-Alanine, phenylmethyl ester, 4-methylbenzenesulfonateEN300-268019BENZYL D-ALANINATE 4-METHYLBENZENESULFONATEC17H21NO5S(R)-Benzyl 2-aminopropanoate 4-methylbenzenesulfonate

Database identifiers

CAS
41036-32-2
PubChem CID
2802425
EC Number
255-185-2

Properties

Computed structural properties

Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
24

Related reactions

13 records

Linked notes

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