ChemSpider 2D Image | (3beta,5xi,6alpha,9beta,16beta,24S)-3-{[2-O-(alpha-D-Arabinopyranosyl)-beta-D-xylopyranosyl]oxy}-16,24,25-trihydroxy-9,19-cyclolanostan-6-yl beta-D-glucopyranoside | C46H78O18

(3β,5ξ,6α,9β,16β,24S)-3-{[2-O-(α-D-Arabinopyranosyl)-β-D-xylopyranosyl]oxy}-16,24,25-trihydroxy-9,19-cyclolanostan-6-yl β-D-glucopyranoside

  • Molecular FormulaC46H78O18
  • Average mass919.101 Da
  • Monoisotopic mass918.518799 Da
  • ChemSpider ID9643524

  • defined stereocentres - 24 of 25 defined stereocentres

More details:

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

(3β,5ξ,6α,9β,16β,24S)-3-{[2-O-(α-D-Arabinopyranosyl)-β-D-xylopyranosyl]oxy}-16,24,25-trihydroxy-9,19-cyclolanostan-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,6α,9β,16β,24S)-3-{[2-O-(α-D-Arabinopyranosyl)-β-D-xylopyranosyl]oxy}-16,24,25-trihydroxy-9,19-cyclolanostan-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,5ξ,6α,9β,16β,24S)-3-{[2-O-(α-D-arabinopyranosyl)-β-D-xylopyranosyl]oxy}-16,24,25-trihydroxy-9,19-cyclolanostan-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,6α,9β,16β,24S)-3-[(2-O-α-D-arabinopyranosyl-β-D-xylopyranosyl)oxy]-16,24,25-trihydroxy-9,19-cyclolanostan-6-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: 1023.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.3±6.0 kJ/mol
Flash Point: 572.7±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 227.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.78
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.78
Polar Surface Area: 298 Å2
Polarizability: 90.1±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 642.3±5.0 cm3

Click to predict properties on the Chemicalize site


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