ChemSpider 2D Image | Rosamultin | C36H58O10

Rosamultin

  • Molecular FormulaC36H58O10
  • Average mass650.840 Da
  • Monoisotopic mass650.403015 Da
  • ChemSpider ID19985275
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2α,3β)-2,3,19-Trihydroxy-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
88515-58-6 [RN]
Rosamultin
Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, β-D-glucopyranosyl ester, (2α,3β)-
β-D-Glucopyranose, 1-O-[(2α,3β)-2,3,19-trihydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]
[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
MFCD09970925

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.0 g/cm3
    Boiling Point: 741.5±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 123.4±0.0 kJ/mol
    Flash Point: 223.6±0.0 °C
    Index of Refraction: 1.604
    Molar Refractivity: 170.3±0.0 cm3
    #H bond acceptors: 10
    #H bond donors: 7
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 4
    ACD/LogP: 5.33
    ACD/LogD (pH 5.5): 5.33
    ACD/BCF (pH 5.5): 6652.64
    ACD/KOC (pH 5.5): 18971.01
    ACD/LogD (pH 7.4): 5.33
    ACD/BCF (pH 7.4): 6652.56
    ACD/KOC (pH 7.4): 18970.76
    Polar Surface Area: 177 Å2
    Polarizability: 67.5±0.0 10-24cm3
    Surface Tension: 64.1±0.0 dyne/cm
    Molar Volume: 494.6±0.0 cm3

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