ChemSpider 2D Image | (3R,4R)-4-(7-Methoxy-2-oxo-2H-chromen-8-yl)-2-methyl-1-butene-3,4-diyl diacetate | C19H20O7

(3R,4R)-4-(7-Methoxy-2-oxo-2H-chromen-8-yl)-2-methyl-1-butene-3,4-diyl diacetate

  • Molecular FormulaC19H20O7
  • Average mass360.358 Da
  • Monoisotopic mass360.120911 Da
  • ChemSpider ID28424349

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-(7-Methoxy-2-oxo-2H-chromen-8-yl)-2-methyl-1-buten-3,4-diyl-diacetat [German] [ACD/IUPAC Name]
(3R,4R)-4-(7-Methoxy-2-oxo-2H-chromen-8-yl)-2-methyl-1-butene-3,4-diyl diacetate [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 8-[(1R,2R)-1,2-bis(acetyloxy)-3-methyl-3-buten-1-yl]-7-methoxy- [ACD/Index Name]
Diacétate de (3R,4R)-4-(7-méthoxy-2-oxo-2H-chromén-8-yl)-2-méthyl-1-butène-3,4-diyle [French] [ACD/IUPAC Name]
[51650-59-0] [RN]
51650-59-0 [RN]
MFCD20260514
Murrangatin diacetate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 494.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.2±3.0 kJ/mol
    Flash Point: 216.8±28.8 °C
    Index of Refraction: 1.538
    Molar Refractivity: 91.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 84.54
    ACD/KOC (pH 5.5): 833.72
    ACD/LogD (pH 7.4): 2.84
    ACD/BCF (pH 7.4): 84.54
    ACD/KOC (pH 7.4): 833.72
    Polar Surface Area: 88 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 44.5±3.0 dyne/cm
    Molar Volume: 292.4±3.0 cm3

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