ChemSpider 2D Image | (1beta,3alpha,9xi,14xi,25R)-3-Hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-beta-D-glucopyranosyl)-beta-D-xylopyranoside | C38H60O12

(1β,3α,9ξ,14ξ,25R)-3-Hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-β-D-glucopyranosyl)-β-D-xylopyranoside

  • Molecular FormulaC38H60O12
  • Average mass708.876 Da
  • Monoisotopic mass708.408447 Da
  • ChemSpider ID17467133

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(1β,3α,9ξ,14ξ,25R)-3-Hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-β-D-glucopyranosyl)-β-D-xylopyranoside [ACD/IUPAC Name]
(1β,3α,9ξ,14ξ,25R)-3-Hydroxyspirost-5-en-1-yl-2-O-(6-desoxy-β-D-glucopyranosyl)-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-β-D-glucopyranosyl)-β-D-xylopyranoside de (1β,3α,9ξ,14ξ,25R)-3-hydroxyspirost-5-én-1-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (1β,3α,9ξ,14ξ,25R)-3-hydroxyspirost-5-en-1-yl 2-O-(6-deoxy-β-D-glucopyranosyl)- [ACD/Index Name]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 833.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 137.8±6.0 kJ/mol
    Flash Point: 458.1±34.3 °C
    Index of Refraction: 1.609
    Molar Refractivity: 180.6±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 4
    ACD/LogP: 5.14
    ACD/LogD (pH 5.5): 4.09
    ACD/BCF (pH 5.5): 762.43
    ACD/KOC (pH 5.5): 4024.19
    ACD/LogD (pH 7.4): 4.09
    ACD/BCF (pH 7.4): 762.42
    ACD/KOC (pH 7.4): 4024.15
    Polar Surface Area: 177 Å2
    Polarizability: 71.6±0.5 10-24cm3
    Surface Tension: 64.2±5.0 dyne/cm
    Molar Volume: 521.8±5.0 cm3

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