ChemSpider 2D Image | (1S,10S)-10-Hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,10-dihydrophenanthro[1,2-b]furan-11(2H)-one | C21H20O4

(1S,10S)-10-Hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,10-dihydrophenanthro[1,2-b]furan-11(2H)-one

  • Molecular FormulaC21H20O4
  • Average mass336.381 Da
  • Monoisotopic mass336.136169 Da
  • ChemSpider ID57257104

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,10S)-10-Hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,10-dihydrophenanthro[1,2-b]furan-11(2H)-on [German] [ACD/IUPAC Name]
(1S,10S)-10-Hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,10-dihydrophenanthro[1,2-b]furan-11(2H)-one [ACD/IUPAC Name]
(1S,10S)-10-Hydroxy-1,6-diméthyl-10-(2-oxopropyl)-1,10-dihydrophénanthro[1,2-b]furan-11(2H)-one [French] [ACD/IUPAC Name]
Phenanthro[1,2-b]furan-11(2H)-one, 1,10-dihydro-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-, (1S,10S)- [ACD/Index Name]
(1S,?10S)?-1,?10-?dihydro-?10-?hydroxy-?1,?6-?dimethyl-?10-?(2-?oxopropyl)?-?Phenanthro[1,?2-?b]?furan-?11(2H)?-?one
(1S,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one
15-Epi-Danshenol-A
189308-08-5 [RN]
216987-13-2 [RN]
CID 102004790
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 571.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.1±3.0 kJ/mol
    Flash Point: 206.6±23.6 °C
    Index of Refraction: 1.654
    Molar Refractivity: 94.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 3.37
    ACD/BCF (pH 5.5): 215.66
    ACD/KOC (pH 5.5): 1629.77
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 215.59
    ACD/KOC (pH 7.4): 1629.21
    Polar Surface Area: 64 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 58.1±5.0 dyne/cm
    Molar Volume: 256.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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