ChemSpider 2D Image | (3beta,5xi,12beta,13xi,23S,24S)-12,23,25-Trihydroxy-20,24-epoxydammaran-3-yl 2-O-beta-D-glucopyranosyl-beta-D-xylopyranoside | C41H70O14

(3β,5ξ,12β,13ξ,23S,24S)-12,23,25-Trihydroxy-20,24-epoxydammaran-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside

  • Molecular FormulaC41H70O14
  • Average mass786.986 Da
  • Monoisotopic mass786.476563 Da
  • ChemSpider ID9449330

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(3β,5ξ,12β,13ξ,23S,24S)-12,23,25-Trihydroxy-20,24-epoxydammaran-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5ξ,12β,13ξ,23S,24S)-12,23,25-Trihydroxy-20,24-epoxydammaran-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,23S,24S)-12,23,25-trihydroxy-20,24-époxydammaran-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,5ξ,12β,13ξ,23S,24S)-20,24-epoxy-12,23,25-trihydroxydammaran-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: 1.4±0.1 g/cm3
Boiling Point: 890.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.9±6.0 kJ/mol
Flash Point: 492.1±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 199.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.99
ACD/KOC (pH 5.5): 461.06
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 36.99
ACD/KOC (pH 7.4): 461.06
Polar Surface Area: 228 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 581.6±5.0 cm3

Click to predict properties on the Chemicalize site


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