ChemSpider 2D Image | (3beta,5xi,8xi,9beta,15alpha,23R,24S)-15-(beta-D-Glucopyranosyloxy)-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl acetate | C43H70O16

(3β,5ξ,8ξ,9β,15α,23R,24S)-15-(β-D-Glucopyranosyloxy)-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl acetate

  • Molecular FormulaC43H70O16
  • Average mass843.006 Da
  • Monoisotopic mass842.466370 Da
  • ChemSpider ID8254777

  • defined stereocentres - 19 of 22 defined stereocentres

More details:

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

(3β,5ξ,8ξ,9β,15α,23R,24S)-15-(β-D-Glucopyranosyloxy)-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl acetate [ACD/IUPAC Name]
(3β,5ξ,8ξ,9β,15α,23R,24S)-15-(β-D-Glucopyranosyloxy)-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5ξ,8ξ,9β,15α,23R,24S)-15-(β-D-glucopyranosyloxy)-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-époxy-9,19-cyclolanostan-24-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5ξ,8ξ,9β,15α,23R,24S)-24-(acetyloxy)-16,23-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-15-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: 943.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.7±6.0 kJ/mol
Flash Point: 275.8±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 208.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.99
ACD/KOC (pH 5.5): 139.96
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.99
ACD/KOC (pH 7.4): 139.95
Polar Surface Area: 255 Å2
Polarizability: 82.8±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 597.7±5.0 cm3

Click to predict properties on the Chemicalize site


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