ChemSpider 2D Image | (3beta,5xi,12beta,13xi,20R,24S)-25-Hydroxy-12,24:20,24-diepoxydammaran-3-yl 2-O-beta-D-glucopyranosyl-beta-D-xylopyranoside | C41H68O13

(3β,5ξ,12β,13ξ,20R,24S)-25-Hydroxy-12,24:20,24-diepoxydammaran-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID9426313

  • defined stereocentres - 18 of 20 defined stereocentres

More details:

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

(3β,5ξ,12β,13ξ,20R,24S)-25-Hydroxy-12,24:20,24-diepoxydammaran-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5ξ,12β,13ξ,20R,24S)-25-Hydroxy-12,24:20,24-diepoxydammaran-3-yl-2-O-β-D-glucopyranosyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-xylopyranoside de (3β,5ξ,12β,13ξ,20R,24S)-25-hydroxy-12,24:20,24-diépoxydammaran-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,5ξ,12β,13ξ,20R,24S)-12,24:20,24-diepoxy-25-hydroxydammaran-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 836.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.3±6.0 kJ/mol
Flash Point: 459.6±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 196.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.68
ACD/KOC (pH 5.5): 2246.52
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.68
ACD/KOC (pH 7.4): 2246.49
Polar Surface Area: 197 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 573.6±5.0 cm3

Click to predict properties on the Chemicalize site


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