Cas no 68005-71-0 (Tosyl-D-valine)

Tosyl-D-valine structure
Tosyl-D-valine structure
Product Name:Tosyl-D-valine
CAS No:68005-71-0
MF:C12H17NO4S
MW:271.33268237114
CID:826548
PubChem ID:708671
Update Time:2025-04-19

Tosyl-D-valine Chemical and Physical Properties

Names and Identifiers

    • Tosyl-D-valine
    • N-(p-toluenesulfonyl)-L-valine
    • TOS-D-VAL-OH
    • (2R)-3-Methyl-2-[[(4-methylphenyl)sulfonyl]amino]butanoic acid
    • N-(p-Tolylsulfonyl)-D-valine
    • N-Tosylvaline, D-
    • UNII-3HUK84URC7
    • SCHEMBL4588942
    • ZYFUNXTYNIYYJI-LLVKDONJSA-N
    • AKOS017539629
    • (R)-3-methyl-2-(4-methylphenylsulfonamido)butanoic acid
    • (2R)-3-Methyl-2-(((4-methylphenyl)sulfonyl)amino)butanoic acid
    • (2R)-3-METHYL-2-(4-METHYLBENZENESULFONAMIDO)BUTANOIC ACID
    • Tosyl valine, D-
    • (R)-3-Methyl-2-(4-methylbenzenesulfonamido)butanoic acid
    • F72775
    • N-Tosyl-D-valine
    • D-Valine, N-((4-methylphenyl)sulfonyl)-
    • 68005-71-0
    • 3HUK84URC7
    • (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid
    • DB-299304
    • N-[(4-Methylphenyl)sulfonyl]-D-valine; N-Tosyl-(R)-valine; (2R)-3-Methyl-2-[[(4-methylphenyl)sulfonyl]amino]butanoic Acid;
    • Inchi: 1S/C12H17NO4S/c1-8(2)11(12(14)15)13-18(16,17)10-6-4-9(3)5-7-10/h4-8,11,13H,1-3H3,(H,14,15)/t11-/m1/s1
    • InChI Key: ZYFUNXTYNIYYJI-LLVKDONJSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(N[C@@H](C(=O)O)C(C)C)(=O)=O

Computed Properties

  • Exact Mass: 271.08800
  • Monoisotopic Mass: 271.08782920g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 377
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 91.8?2

Experimental Properties

  • Density: 1.246±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 149.5-150.5 oC
  • Solubility: Very slightly soluble (0.54 g/l) (25 o C),
  • PSA: 91.85000
  • LogP: 2.85420

Tosyl-D-valine Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

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