ChemSpider 2D Image | (3Z,5R,6Z,8S,9Z,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one | C18H28O4

(3Z,5R,6Z,8S,9Z,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one

  • Molecular FormulaC18H28O4
  • Average mass308.413 Da
  • Monoisotopic mass308.198761 Da
  • ChemSpider ID49073566
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3Z,5R,6Z,8S,9Z,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-on [German] [ACD/IUPAC Name]
(3Z,5R,6Z,8S,9Z,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one [ACD/IUPAC Name]
(3Z,5R,6Z,8S,9Z,13S,14R)-5-Hydroxy-8-méthoxy-5,9,13,14-tétraméthyloxacyclotétradéca-3,6,9-trién-2-one [French] [ACD/IUPAC Name]
Oxacyclotetradeca-3,6,9-trien-2-one, 5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-, (3Z,5R,6Z,8S,9Z,13S,14R)- [ACD/Index Name]
(5R,8S,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
25129-91-3 [RN]
77409-68-8 [RN]
Albocycline
MFCD01674465
pseurotin d

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 465.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±6.0 kJ/mol
    Flash Point: 161.2±22.2 °C
    Index of Refraction: 1.508
    Molar Refractivity: 87.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.04
    ACD/LogD (pH 5.5): 3.44
    ACD/BCF (pH 5.5): 244.13
    ACD/KOC (pH 5.5): 1780.98
    ACD/LogD (pH 7.4): 3.44
    ACD/BCF (pH 7.4): 244.12
    ACD/KOC (pH 7.4): 1780.97
    Polar Surface Area: 56 Å2
    Polarizability: 34.9±0.5 10-24cm3
    Surface Tension: 38.3±5.0 dyne/cm
    Molar Volume: 295.0±5.0 cm3

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