Cas no 158961-80-9 (D-Valine, N-[(dodecyloxy)carbonyl]-)

D-Valine, N-[(dodecyloxy)carbonyl]- structure
158961-80-9 structure
Product Name:D-Valine, N-[(dodecyloxy)carbonyl]-
CAS No:158961-80-9
MF:C18H35NO4
MW:329.474806070328
CID:1337810
PubChem ID:9883947
Update Time:2025-04-20

D-Valine, N-[(dodecyloxy)carbonyl]- Chemical and Physical Properties

Names and Identifiers

    • D-Valine, N-[(dodecyloxy)carbonyl]-
    • (2R)-2-(dodecoxycarbonylamino)-3-methylbutanoic acid
    • DTXSID80432380
    • (r)-n-dodecoxycarbonylvaline
    • SCHEMBL7769533
    • 158961-80-9
    • Inchi: 1S/C18H35NO4/c1-4-5-6-7-8-9-10-11-12-13-14-23-18(22)19-16(15(2)3)17(20)21/h15-16H,4-14H2,1-3H3,(H,19,22)(H,20,21)/t16-/m1/s1
    • InChI Key: KFXDHGFKZUDVAR-MRXNPFEDSA-N
    • SMILES: O(C(N[C@@H](C(=O)O)C(C)C)=O)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 329.25675
  • Monoisotopic Mass: 329.25660860g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 15
  • Complexity: 318
  • 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: 6.5
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • PSA: 75.63
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