Cas no 31925-27-6 (D-Phenylalanine, b-hydroxy-4-(methylsulfonyl)-,ethyl ester, (bS)-rel-)

D-Phenylalanine, b-hydroxy-4-(methylsulfonyl)-,ethyl ester, (bS)-rel- structure
31925-27-6 structure
Product Name:D-Phenylalanine, b-hydroxy-4-(methylsulfonyl)-,ethyl ester, (bS)-rel-
CAS No:31925-27-6
MF:C12H17NO5S
MW:287.332082509995
CID:300159
PubChem ID:57346070
Update Time:2025-04-19

D-Phenylalanine, b-hydroxy-4-(methylsulfonyl)-,ethyl ester, (bS)-rel- Chemical and Physical Properties

Names and Identifiers

    • D-Phenylalanine, b-hydroxy-4-(methylsulfonyl)-,ethyl ester, (bS)-rel-
    • 3-(4-(Methylsulfonyl)Phenyl)Serine Ethyl Ester
    • DL-threo-p-methylsulfonylphenylserine ethyl ester
    • D-p-methyl sulfino phenyl ethyl serinate
    • D-p-Methyl sulfone phenyl ethyl serinate
    • 3-[p-(Methylsulfonyl)phenyl]serine ethyl ester
    • (betaS)-rel-beta-Hydroxy-4-(methylsulfonyl)-D-phenylalanine ethyl ster
    • ethyl (2S)-2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoate
    • DTXSID30721094
    • AKOS015966791
    • Ethyl beta-hydroxy-4-(methanesulfonyl)-L-phenylalaninate
    • J-000144
    • 31925-27-6
    • MDL: MFCD08274466
    • Inchi: 1S/C12H17NO5S/c1-3-18-12(15)10(13)11(14)8-4-6-9(7-5-8)19(2,16)17/h4-7,10-11,14H,3,13H2,1-2H3/t10-,11?/m0/s1
    • InChI Key: CEEHCOWSYFANRT-VUWPPUDQSA-N
    • SMILES: S(C)(C1C=CC(=CC=1)C([C@@H](C(=O)OCC)N)O)(=O)=O

Computed Properties

  • Exact Mass: 287.08300
  • Monoisotopic Mass: 287.08274382g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 395
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 115?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.309
  • Melting Point: No data available
  • Boiling Point: 515.0±50.0 °C at 760 mmHg
  • Flash Point: 265.2±30.1 °C
  • Refractive Index: 1.554
  • PSA: 115.07000
  • LogP: 1.79500
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

D-Phenylalanine, b-hydroxy-4-(methylsulfonyl)-,ethyl ester, (bS)-rel- Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Key Organics Ltd
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A2B Chem LLC
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3-(4-(METHYLSULFONYL)PHENYL)SERINE ETHYL ESTER
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