Found 1 result

Search term: 1258005-85-4 (Found by synonym)
ChemSpider 2D Image | (6aR,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthene-8,11-dione | C21H28O4

(6aR,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthene-8,11-dione

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID35466810

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(6aR,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthen-8,11-dion [German] [ACD/IUPAC Name]
(6aR,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthene-8,11-dione [ACD/IUPAC Name]
(6aR,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tétraméthyl-1,3,4,4a,5,6,6a,12,12a,12b-décahydro-2H-benzo[a]xanthène-8,11-dione [French] [ACD/IUPAC Name]
2H-Benzo[a]xanthene-8,11-dione, 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-, (6aR,12aR,12bS)- [ACD/Index Name]
(6ar,12ar,12bs)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-2h-benzo[a]xanthene-8,11-dione
(6aR,12aR,12bS)-10-hydroxy-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthene-8,11-dione
1258005-85-4 [RN]
Ceramide Kinase Inhibitor, K1

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 456.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.7±6.0 kJ/mol
    Flash Point: 155.2±22.2 °C
    Index of Refraction: 1.573
    Molar Refractivity: 93.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 5.42
    ACD/LogD (pH 5.5): 4.17
    ACD/BCF (pH 5.5): 492.43
    ACD/KOC (pH 5.5): 1490.05
    ACD/LogD (pH 7.4): 2.41
    ACD/BCF (pH 7.4): 8.49
    ACD/KOC (pH 7.4): 25.70
    Polar Surface Area: 64 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 48.2±5.0 dyne/cm
    Molar Volume: 284.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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