ChemSpider 2D Image | (3beta,25R)-14,17-Dihydroxyspirost-5-en-3-yl 2-O-(6-deoxy-L-mannopyranosyl)-beta-D-glucopyranoside | C39H62O14

(3β,25R)-14,17-Dihydroxyspirost-5-en-3-yl 2-O-(6-deoxy-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC39H62O14
  • Average mass754.901 Da
  • Monoisotopic mass754.413940 Da
  • ChemSpider ID73989894

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(3β,25R)-14,17-Dihydroxyspirost-5-en-3-yl 2-O-(6-deoxy-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-14,17-Dihydroxyspirost-5-en-3-yl-2-O-(6-desoxy-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-L-mannopyranosyl)-β-D-glucopyranoside de (3β,25R)-14,17-dihydroxyspirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25R)-14,17-dihydroxyspirost-5-en-3-yl 2-O-(6-deoxy-L-mannopyranosyl)- [ACD/Index Name]
128502-94-3 [RN]
MFCD28964246

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 900.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 148.6±6.0 kJ/mol
    Flash Point: 498.4±34.3 °C
    Index of Refraction: 1.627
    Molar Refractivity: 188.4±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 8
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: 4.77
    ACD/LogD (pH 5.5): 3.39
    ACD/BCF (pH 5.5): 223.05
    ACD/KOC (pH 5.5): 1669.51
    ACD/LogD (pH 7.4): 3.39
    ACD/BCF (pH 7.4): 223.04
    ACD/KOC (pH 7.4): 1669.49
    Polar Surface Area: 217 Å2
    Polarizability: 74.7±0.5 10-24cm3
    Surface Tension: 71.8±5.0 dyne/cm
    Molar Volume: 531.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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