ChemSpider 2D Image | (3beta,9xi,12beta)-3-{[2-O-(alpha-D-Glucopyranosyl)-alpha-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-20-yl 6-O-alpha-D-glucopyranosyl-alpha-D-altropyranoside | C54H92O23

(3β,9ξ,12β)-3-{[2-O-(α-D-Glucopyranosyl)-α-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-20-yl 6-O-α-D-glucopyranosyl-α-D-altropyranoside

  • Molecular FormulaC54H92O23
  • Average mass1109.295 Da
  • Monoisotopic mass1108.602905 Da
  • ChemSpider ID58803534
  • defined stereocentres - 29 of 30 defined stereocentres


More details:






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

(3β,9ξ,12β)-3-{[2-O-(α-D-Glucopyranosyl)-α-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-20-yl 6-O-α-D-glucopyranosyl-α-D-altropyranoside [ACD/IUPAC Name]
(3β,9ξ,12β)-3-{[2-O-(α-D-Glucopyranosyl)-α-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-20-yl-6-O-α-D-glucopyranosyl-α-D-altropyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Glucopyranosyl-α-D-altropyranoside de (3β,9ξ,12β)-3-{[2-O-(α-D-glucopyranosyl)-α-D-glucopyranosyl]oxy}-12-hydroxydammar-24-én-20-yle [French] [ACD/IUPAC Name]
α-D-Altropyranoside, (3β,9ξ,12β)-3-[(2-O-α-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-20-yl 6-O-α-D-glucopyranosyl- [ACD/Index Name]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 1145.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 191.0±6.0 kJ/mol
    Flash Point: 646.8±34.3 °C
    Index of Refraction: 1.626
    Molar Refractivity: 271.9±0.4 cm3
    #H bond acceptors: 23
    #H bond donors: 15
    #Freely Rotating Bonds: 16
    #Rule of 5 Violations: 3
    ACD/LogP: 2.90
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 3.18
    ACD/KOC (pH 5.5): 79.64
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 3.18
    ACD/KOC (pH 7.4): 79.64
    Polar Surface Area: 377 Å2
    Polarizability: 107.8±0.5 10-24cm3
    Surface Tension: 78.6±5.0 dyne/cm
    Molar Volume: 768.4±5.0 cm3

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