ChemSpider 2D Image | (3beta,9beta,12beta)-16,23-Dioxo-3-(beta-D-xylopyranosyloxy)-24,25-epoxy-9,19-cyclolanost-7-en-12-yl acetate | C37H54O10

(3β,9β,12β)-16,23-Dioxo-3-(β-D-xylopyranosyloxy)-24,25-epoxy-9,19-cyclolanost-7-en-12-yl acetate

  • Molecular FormulaC37H54O10
  • Average mass658.819 Da
  • Monoisotopic mass658.371704 Da
  • ChemSpider ID8276393

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(3β,9β,12β)-16,23-Dioxo-3-(β-D-xylopyranosyloxy)-24,25-epoxy-9,19-cyclolanost-7-en-12-yl acetate [ACD/IUPAC Name]
(3β,9β,12β)-16,23-Dioxo-3-(β-D-xylopyranosyloxy)-24,25-epoxy-9,19-cyclolanost-7-en-12-yl-acetat [German] [ACD/IUPAC Name]
9,19-Cyclolanost-7-ene-16,23-dione, 12-(acetyloxy)-24,25-epoxy-3-(β-D-xylopyranosyloxy)-, (3β,9β,12β)- [ACD/Index Name]
Acétate de (3β,9β,12β)-16,23-dioxo-3-(β-D-xylopyranosyloxy)-24,25-époxy-9,19-cyclolanost-7-én-12-yle [French] [ACD/IUPAC 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: 750.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.8±6.0 kJ/mol
Flash Point: 227.8±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 316.21
ACD/KOC (pH 5.5): 2143.32
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 316.21
ACD/KOC (pH 7.4): 2143.31
Polar Surface Area: 152 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 507.8±5.0 cm3

Click to predict properties on the Chemicalize site


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