Cas no 2495-84-3 (L-Ascorbic acid,6-(9Z)-9-octadecenoate)

L-Ascorbic acid,6-(9Z)-9-octadecenoate structure
2495-84-3 structure
Product Name:L-Ascorbic acid,6-(9Z)-9-octadecenoate
CAS No:2495-84-3
MF:C24H40O7
MW:440.5702085495
CID:273872
PubChem ID:54689795
Update Time:2025-04-19

L-Ascorbic acid,6-(9Z)-9-octadecenoate Chemical and Physical Properties

Names and Identifiers

    • L-Ascorbic acid,6-(9Z)-9-octadecenoate
    • [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
    • 6-(Oleoyloxy)-L-ascorbic acid
    • 6-O-[(9Z)-octadec-9-enoyl]-L-threo-hex-1-enofuranos-3-ulose
    • 2495-84-3
    • W39C00I169
    • EINECS 219-677-0
    • ASCORBIC ACID, 6-OLEATE
    • L-ascorbyl oleate
    • L-ASCORBIC ACID, 6-OLEATE
    • (S)-2-((R)-3,4-Dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl oleate
    • ascorbyl oleate
    • OLEIC ACID, 6-ESTER WITH ASCORBIC ACID
    • L-ASCORBIC ACID, 6-(9Z)-9-OCTADECENOATE
    • ASCORBYLOLEATE
    • Q27292247
    • DTXSID401019333
    • UNII-W39C00I169
    • SCHEMBL14880173
    • ASCORBYL OLEATE [WHO-DD]
    • Inchi: 1S/C24H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h9-10,19,23,25,27-28H,2-8,11-18H2,1H3/b10-9-/t19-,23+/m0/s1
    • InChI Key: JPBAVLUULZJFFO-JENHRLMUSA-N
    • SMILES: O(C(CCCCCCC/C=C\CCCCCCCC)=O)C[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O

Computed Properties

  • Exact Mass: 440.27740361g/mol
  • Monoisotopic Mass: 440.27740361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 19
  • Complexity: 583
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.4
  • Topological Polar Surface Area: 113?2
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