Cas no 56188-04-6 ({(1R,3R,5S)-3,5-DIHYDROXY-2-[(E)-(3S)-3-HYDROXYOCT-1-ENYL]CYCLOPENTYL}ACETIC ACID)

{(1R,3R,5S)-3,5-DIHYDROXY-2-[(E)-(3S)-3-HYDROXYOCT-1-ENYL]CYCLOPENTYL}ACETIC ACID structure
56188-04-6 structure
Product Name:{(1R,3R,5S)-3,5-DIHYDROXY-2-[(E)-(3S)-3-HYDROXYOCT-1-ENYL]CYCLOPENTYL}ACETIC ACID
CAS No:56188-04-6
MF:C15H26O5
MW:286.363945484161
CID:945011
PubChem ID:57350990
Update Time:2025-04-19

{(1R,3R,5S)-3,5-DIHYDROXY-2-[(E)-(3S)-3-HYDROXYOCT-1-ENYL]CYCLOPENTYL}ACETIC ACID Chemical and Physical Properties

Names and Identifiers

    • {(1R,3R,5S)-3,5-DIHYDROXY-2-[(E)-(3S)-3-HYDROXYOCT-1-ENYL]CYCLOPENTYL}ACETIC ACID
    • 2-((1R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxyoct-1-en-1-yl)cyclopentyl)acetic acid
    • 3A, 5A-DIHYDROXY-2B-(3S-HYDROXY-TRANS-1-OCTENYL)-1A-CYCLOPENTANE ACETIC ACID
    • [3,5-Dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]acetic acid
    • 56188-04-6
    • 2-[(1R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]acetic acid
    • DTXSID70971576
    • Inchi： 1S/C15H26O5/c1-2-3-4-5-10(16)6-7-11-12(8-15(19)20)14(18)9-13(11)17/h6-7,10-14,16-18H,2-5,8-9H2,1H3,(H,19,20)/t10-,11?,12+,13+,14-/m0/s1
    • InChI Key： UCRYUXJCACOTHB-DDLFLNHLSA-N
    • SMILES： O[C@H]1C[C@H](C(C=C[C@H](CCCCC)O)[C@H]1CC(=O)O)O

Computed Properties

  • Exact Mass: 286.17802393g/mol
  • Monoisotopic Mass: 286.17802393g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 8
  • Complexity: 328
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 1.1
  • Topological Polar Surface Area: 98?2

Experimental Properties

  • Density: 1.238±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 105-107 oC
  • Solubility: Slightly soluble (2.5 g/l) (25 o C),

{(1R,3R,5S)-3,5-DIHYDROXY-2-[(E)-(3S)-3-HYDROXYOCT-1-ENYL]CYCLOPENTYL}ACETIC ACID Related Literature

56188-04-6 ({(1R,3R,5S)-3,5-DIHYDROXY-2-[(E)-(3S)-3-HYDROXYOCT-1-ENYL]CYCLOPENTYL}ACETIC ACID) Related Products

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