Cas no 34565-32-7 (Pestalotin)

Pestalotin structure
Pestalotin structure
Product Name:Pestalotin
CAS No:34565-32-7
MF:C11H18O4
MW:214.258224010468
CID:852887
PubChem ID:182201
Update Time:2025-10-18

Pestalotin Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-2-one,5,6-dihydro-6-[(1S)-1- hydroxypentyl]-4-methoxy-,(6S)-
    • (-)-pestalotin
    • Pestalotin
    • (2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
    • NS00097232
    • (2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one
    • NCGC00180394-01
    • (S)-6-((S)-1-Hydroxypentyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one
    • AKOS040755502
    • ACon1_001546
    • CS-0067052
    • BRD-K86217670-001-01-9
    • CHEBI:182798
    • HY-119328
    • DTXSID20956075
    • 6-(1-hydroxypentyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one
    • 34565-32-7
    • (+/-)-Pestalotin
    • (6S)-6-[(1S)-1-Hydroxypentyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
    • LL-P880alpha
    • DA-56709
    • Inchi: 1S/C11H18O4/c1-3-4-5-9(12)10-6-8(14-2)7-11(13)15-10/h7,9-10,12H,3-6H2,1-2H3/t9-,10-/m0/s1
    • InChI Key: YFIMUDXPJZVJJO-UWVGGRQHSA-N
    • SMILES: O1C(C=C(C[C@H]1[C@H](CCCC)O)OC)=O

Computed Properties

  • Exact Mass: 214.12054
  • Monoisotopic Mass: 214.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 247
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 384.7±42.0 °C at 760 mmHg
  • Flash Point: 148.2±21.4 °C
  • PSA: 55.76
  • Vapor Pressure: 0.0±2.0 mmHg at 25°C

Pestalotin Security Information

Pestalotin Pricemore >>

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