ChemSpider 2D Image | (3beta,5xi,9beta,16beta)-3-(alpha-L-Arabinopyranosyloxy)-16-hydroxy-22,25-epoxy-9,19-cyclolanostan-28-yl beta-D-glucopyranoside | C41H68O13

(3β,5ξ,9β,16β)-3-(α-L-Arabinopyranosyloxy)-16-hydroxy-22,25-epoxy-9,19-cyclolanostan-28-yl β-D-glucopyranoside

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID8756406

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(3β,5ξ,9β,16β)-3-(α-L-Arabinopyranosyloxy)-16-hydroxy-22,25-epoxy-9,19-cyclolanostan-28-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,9β,16β)-3-(α-L-Arabinopyranosyloxy)-16-hydroxy-22,25-epoxy-9,19-cyclolanostan-28-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,5ξ,9β,16β)-3-(α-L-arabinopyranosyloxy)-16-hydroxy-22,25-époxy-9,19-cyclolanostan-28-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,9β,16β)-3-(α-L-arabinopyranosyloxy)-22,25-epoxy-16-hydroxy-9,19-cyclolanostan-28-yl [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: 869.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.7±6.0 kJ/mol
Flash Point: 479.9±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 196.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.37
ACD/KOC (pH 5.5): 446.83
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.37
ACD/KOC (pH 7.4): 446.83
Polar Surface Area: 208 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 565.0±5.0 cm3

Click to predict properties on the Chemicalize site


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