Cas no 189082-77-7 (3-(benzylsulfinyl)-L-alanine)
3-(benzylsulfinyl)-L-alanine structure
Product Name:3-(benzylsulfinyl)-L-alanine
CAS No:189082-77-7
MF:C10H13NO3S
MW:227.280121564865
CID:1382581
PubChem ID:12991581
Update Time:2025-04-20
3-(benzylsulfinyl)-L-alanine Chemical and Physical Properties
Names and Identifiers
-
- 3-(benzylsulfinyl)-L-alanine
- (2R)-2-Amino-3-(benzylsulfinyl)propanoic acid
- 3-(Benzylsulfinyl)-L-alanin
- L-alanine, 3-[(phenylmethyl)sulfinyl]-
- LogP
- L-ALANINE, 3-[(R)-(PHENYLMETHYL)SULFINYL]-
- 189082-77-7
- (2R)-2-amino-3-[(R)-benzylsulfinyl]propanoic acid
- DB-326540
-
- Inchi: 1S/C10H13NO3S/c11-9(10(12)13)7-15(14)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-,15+/m0/s1
- InChI Key: OBQBHBOGTLPNJM-BJOHPYRUSA-N
- SMILES: [S@@](CC1C=CC=CC=1)(C[C@@H](C(=O)O)N)=O
Computed Properties
- Exact Mass: 227.06169
- Monoisotopic Mass: 227.06161445g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.7
- Topological Polar Surface Area: 99.6?2
Experimental Properties
- PSA: 80.39
3-(benzylsulfinyl)-L-alanine Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
189082-77-7 (3-(benzylsulfinyl)-L-alanine) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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