ChemSpider 2D Image | (1R,2R,4R,5R)-4-(7-Methoxy-2-oxo-2H-chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hex-2-yl acetate | C17H16O7

(1R,2R,4R,5R)-4-(7-Methoxy-2-oxo-2H-chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hex-2-yl acetate

  • Molecular FormulaC17H16O7
  • Average mass332.305 Da
  • Monoisotopic mass332.089600 Da
  • ChemSpider ID28424291

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,4R,5R)-4-(7-Methoxy-2-oxo-2H-chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hex-2-yl acetate [ACD/IUPAC Name]
(1R,2R,4R,5R)-4-(7-Methoxy-2-oxo-2H-chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hex-2-yl-acetat [German] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 6-[(1R,2R,4R,5R)-4-(acetyloxy)-5-methyl-3,6-dioxabicyclo[3.1.0]hex-2-yl]-7-methoxy- [ACD/Index Name]
Acétate de (1R,2R,4R,5R)-4-(7-méthoxy-2-oxo-2H-chromén-6-yl)-1-méthyl-3,6-dioxabicyclo[3.1.0]hex-2-yle [French] [ACD/IUPAC Name]
[94285-22-0] [RN]
94285-22-0 [RN]
Acetyldihydromicromelin A
MFCD20260404

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 487.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 217.0±28.8 °C
    Index of Refraction: 1.606
    Molar Refractivity: 80.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.25
    ACD/LogD (pH 5.5): 1.43
    ACD/BCF (pH 5.5): 7.16
    ACD/KOC (pH 5.5): 142.44
    ACD/LogD (pH 7.4): 1.43
    ACD/BCF (pH 7.4): 7.16
    ACD/KOC (pH 7.4): 142.44
    Polar Surface Area: 84 Å2
    Polarizability: 31.8±0.5 10-24cm3
    Surface Tension: 57.1±5.0 dyne/cm
    Molar Volume: 232.9±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement