ChemSpider 2D Image | Hellebrin | C36H52O15

Hellebrin

  • Molecular FormulaC36H52O15
  • Average mass724.789 Da
  • Monoisotopic mass724.330627 Da
  • ChemSpider ID390435
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(3β,5β)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-5,14-dihydroxy-19-oxobufa-20,22-dienolide [ACD/IUPAC Name]
(3β,5β)-3-{[6-Desoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-5,14-dihydroxy-19-oxobufa-20,22-dienolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[6-Désoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-5,14-dihydroxy-19-oxobufa-20,22-diénolide [French] [ACD/IUPAC Name]
13289-18-4 [RN]
236-303-1 [EINECS]
Bufa-20,22-dienolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
Hellebrigenin 3-O-glucosylrhamnoside
Hellebrigenin glucorhamnoside
Hellebrin
IOS9LBR6II
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08868 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 931.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 153.7±6.0 kJ/mol
    Flash Point: 288.1±27.8 °C
    Index of Refraction: 1.648
    Molar Refractivity: 175.2±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 8
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: -1.31
    ACD/LogD (pH 5.5): -1.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.13
    ACD/LogD (pH 7.4): -1.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.13
    Polar Surface Area: 242 Å2
    Polarizability: 69.5±0.5 10-24cm3
    Surface Tension: 81.1±5.0 dyne/cm
    Molar Volume: 481.9±5.0 cm3

    Click to predict properties on the Chemicalize site






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