ChemSpider 2D Image | (2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,27-dihydroxyolean-12-ene-24,28-dioic acid | C36H56O12

(2β,3β)-3-(β-D-Glucopyranosyloxy)-2,27-dihydroxyolean-12-ene-24,28-dioic acid

  • Molecular FormulaC36H56O12
  • Average mass680.823 Da
  • Monoisotopic mass680.377197 Da
  • ChemSpider ID30783503

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2β,3β)-3-(β-D-Glucopyranosyloxy)-2,27-dihydroxyolean-12-en-24,28-disäure [German] [ACD/IUPAC Name]
(2β,3β)-3-(β-D-Glucopyranosyloxy)-2,27-dihydroxyolean-12-ene-24,28-dioic acid [ACD/IUPAC Name]
Acide (2β,3β)-3-(β-D-glucopyranosyloxy)-2,27-dihydroxyoléan-12-ène-24,28-dioïque [French] [ACD/IUPAC Name]
Olean-12-ene-24,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, (2β,3β)- [ACD/Index Name]
(2S,3R,4R,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
[20183-47-5] [RN]
20183-47-5 [RN]
MFCD20527302
Tenuifolin

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 853.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 141.0±6.0 kJ/mol
    Flash Point: 262.2±27.8 °C
    Index of Refraction: 1.623
    Molar Refractivity: 172.0±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 8
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: 2.25
    ACD/LogD (pH 5.5): 0.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.31
    ACD/LogD (pH 7.4): -1.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 214 Å2
    Polarizability: 68.2±0.5 10-24cm3
    Surface Tension: 72.5±5.0 dyne/cm
    Molar Volume: 487.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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