Cas no 139079-42-8 ((-)-Heraclenol)

(-)-Heraclenol structure
(-)-Heraclenol structure
Product Name:(-)-Heraclenol
CAS No:139079-42-8
MF:C16H16O6
MW:304.294645309448
CID:1080582
PubChem ID:40429858
Update Time:2025-04-20

(-)-Heraclenol Chemical and Physical Properties

Names and Identifiers

    • (-)-Heraclenol
    • [ "" ]
    • FOINLJRVEBYARJ-NSHDSACASA-N
    • 139079-42-8
    • CS-0016077
    • HY-N0944
    • AKOS040761830
    • FS-6892
    • E80571
    • 9-[(2S)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
    • DA-48559
    • Inchi: 1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3/t11-/m0/s1
    • InChI Key: FOINLJRVEBYARJ-NSHDSACASA-N
    • SMILES: O(C1C2=C(C=CC(=O)O2)C=C2C=COC=12)C[C@@H](C(C)(C)O)O

Computed Properties

  • Exact Mass: 304.09500
  • Monoisotopic Mass: 304.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 460
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 89.1A^2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.386±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 117-118°C
  • Boiling Point: 544.3±50.0 °C at 760 mmHg
  • Flash Point: 283.0±30.1 °C
  • Solubility: Very slightly soluble (0.37 g/l) (25 o C),
  • PSA: 93.04000
  • LogP: 2.04980
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

(-)-Heraclenol Security Information

(-)-Heraclenol Pricemore >>

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