ChemSpider 2D Image | BACOSIDE A | C41H68O13

BACOSIDE A

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID21468707

  • defined stereocentres - 17 of 18 defined stereocentres

More details:

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

11028-00-5 [RN]
19,20-Dihydroxy-16-oxodammar-24-en-3-yl 4-O-α-L-arabinopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
19,20-Dihydroxy-16-oxodammar-24-en-3-yl-4-O-α-L-arabinopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-α-L-Arabinopyranosyl-β-D-glucopyranoside de 19,20-dihydroxy-16-oxodammar-24-én-3-yle [French] [ACD/IUPAC Name]
BACOSIDE A
Dammar-24-en-16-one, 3-[(4-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-19,20-dihydroxy- [ACD/Index Name]
MFCD03788767

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 882.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 145.7±6.0 kJ/mol
    Flash Point: 259.5±27.8 °C
    Index of Refraction: 1.594
    Molar Refractivity: 198.4±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 8
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 3.62
    ACD/LogD (pH 5.5): 2.56
    ACD/BCF (pH 5.5): 51.46
    ACD/KOC (pH 5.5): 584.38
    ACD/LogD (pH 7.4): 2.56
    ACD/BCF (pH 7.4): 51.46
    ACD/KOC (pH 7.4): 584.37
    Polar Surface Area: 216 Å2
    Polarizability: 78.7±0.5 10-24cm3
    Surface Tension: 64.1±5.0 dyne/cm
    Molar Volume: 585.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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