ChemSpider 2D Image | MFCD00017386 | C36H58O9

MFCD00017386

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID418346

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,16α)-3-(β-D-Glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,16α)-3-(β-D-Glucopyranosyloxy)-16-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
278-887-0 [EINECS]
78285-90-2 [RN]
Acide (3β,16α)-3-(β-D-glucopyranosyloxy)-16-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Echinocystic acid-3-o-glucoside
Eclalbasaponin II
Ecliptasaponin A
MFCD00017386
Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-16-hydroxy-, (3β,16α)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1613820 [DBID]
AIDS087529 [DBID]
AIDS-087529 [DBID]
CCRIS 6892 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 752.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.7 mmHg at 25°C
    Enthalpy of Vaporization: 125.1±6.0 kJ/mol
    Flash Point: 228.6±26.4 °C
    Index of Refraction: 1.595
    Molar Refractivity: 168.8±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 3
    ACD/LogP: 5.61
    ACD/LogD (pH 5.5): 4.31
    ACD/BCF (pH 5.5): 589.59
    ACD/KOC (pH 5.5): 1580.64
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 9.43
    ACD/KOC (pH 7.4): 25.29
    Polar Surface Area: 157 Å2
    Polarizability: 66.9±0.5 10-24cm3
    Surface Tension: 60.3±5.0 dyne/cm
    Molar Volume: 496.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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