ChemSpider 2D Image | (3beta,9beta,15alpha,16alpha,23S,24S)-15,25-Dihydroxy-3-(beta-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl acetate | C37H60O10

(3β,9β,15α,16α,23S,24S)-15,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl acetate

  • Molecular FormulaC37H60O10
  • Average mass664.866 Da
  • Monoisotopic mass664.418640 Da
  • ChemSpider ID34226379

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,9β,15α,16α,23S,24S)-15,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl acetate [ACD/IUPAC Name]
(3β,9β,15α,16α,23S,24S)-15,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,9β,15α,16α,23S,24S)-15,25-dihydroxy-3-(β-D-xylopyranosyloxy)-16,23-époxy-9,19-cyclolanostan-24-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,9β,15α,16α,23S,24S)-24-(acetyloxy)-16,23-epoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl [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: 777.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 235.3±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 173.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1097.19
ACD/KOC (pH 5.5): 5221.96
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1097.18
ACD/KOC (pH 7.4): 5221.93
Polar Surface Area: 155 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 517.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement