ChemSpider 2D Image | (3beta,20R,22E,24S)-Stigmasta-5,22,25-trien-3-yl beta-D-glucopyranoside | C35H56O6

(3β,20R,22E,24S)-Stigmasta-5,22,25-trien-3-yl β-D-glucopyranoside

  • Molecular FormulaC35H56O6
  • Average mass572.815 Da
  • Monoisotopic mass572.407715 Da
  • ChemSpider ID28424348

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,20R,22E,24S)-Stigmasta-5,22,25-trien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,20R,22E,24S)-Stigmasta-5,22,25-trien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,20R,22E,24S)-stigmasta-5,22,25-trién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,20R,22E,24S)-stigmasta-5,22,25-trien-3-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
[143815-99-0] [RN]
143815-99-0 [RN]
22-Dehydroclerosterol glucoside
MFCD20260513

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 678.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.9±6.0 kJ/mol
    Flash Point: 364.2±31.5 °C
    Index of Refraction: 1.568
    Molar Refractivity: 162.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 7.96
    ACD/LogD (pH 5.5): 6.39
    ACD/BCF (pH 5.5): 42339.27
    ACD/KOC (pH 5.5): 71351.89
    ACD/LogD (pH 7.4): 6.39
    ACD/BCF (pH 7.4): 42338.98
    ACD/KOC (pH 7.4): 71351.42
    Polar Surface Area: 99 Å2
    Polarizability: 64.4±0.5 10-24cm3
    Surface Tension: 49.7±5.0 dyne/cm
    Molar Volume: 496.6±5.0 cm3

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