Cas no 172703-87-6 (Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)-)

Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- structure
172703-87-6 structure
Product Name:Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)-
CAS No:172703-87-6
MF:C30H56O10
MW:576.759651184082
CID:180200
PubChem ID:9916202
Update Time:2025-04-19

Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- Chemical and Physical Properties

Names and Identifiers

    • Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)-
    • Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R
    • (-)-Exophilin A
    • Decanoicacid, 5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-,1-(3-carboxy-2-hydroxypropyl)hexyl ester, [3R-[1[R*(R*)],3R*,5R*(3R*,5R*)]]-
    • Exophilin A
    • SCHEMBL9253516
    • 172703-87-6
    • (1R)-1-[(2R)-3-Carboxy-2-hydroxypropyl]hexyl (3R,5R)-5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxydecanoate
    • CHEBI:201906
    • DTXSID301107313
    • (3R,5R)-5-[(3R,5R)-5-[(3R,5R)-3,5-dihydroxydecanoyl]oxy-3-hydroxydecanoyl]oxy-3-hydroxydecanoic acid
    • Inchi: 1S/C30H56O10/c1-4-7-10-13-22(31)16-23(32)20-29(37)40-27(15-12-9-6-3)18-25(34)21-30(38)39-26(14-11-8-5-2)17-24(33)19-28(35)36/h22-27,31-34H,4-21H2,1-3H3,(H,35,36)
    • InChI Key: RZQNQMRSGMXXMH-UHFFFAOYSA-N
    • SMILES: CCCCCC(CC(CC(OC(CC(CC(OC(CC(CC(=O)O)O)CCCCC)=O)O)CCCCC)=O)O)O

Computed Properties

  • Exact Mass: 576.38748
  • Monoisotopic Mass: 576.38734798g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 28
  • Complexity: 671
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.1
  • Topological Polar Surface Area: 171?2

Experimental Properties

  • PSA: 170.82

Decanoic acid,5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-3-hydroxy-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- Related Literature

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