ChemSpider 2D Image | (3beta,5xi,8xi,9beta,15alpha,23R,24S)-15-(beta-D-Glucopyranosyloxy)-3,16,25-trihydroxy-16,23-epoxy-9,19-cyclolanostan-24-yl acetate | C38H62O12

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

  • Molecular FormulaC38H62O12
  • Average mass710.892 Da
  • Monoisotopic mass710.424133 Da
  • ChemSpider ID8525317

  • defined stereocentres - 15 of 18 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)-3,16,25-trihydroxy-16,23-epoxy-9,19-cyclolanostan-24-yl acetate [ACD/IUPAC Name]
(3β,5ξ,8ξ,9β,15α,23R,24S)-15-(β-D-Glucopyranosyloxy)-3,16,25-trihydroxy-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)-3,16,25-trihydroxy-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-3,16,25-trihydroxy-9,19-cyclolanostan-15-yl [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 834.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.0±6.0 kJ/mol
Flash Point: 251.5±27.8 °C
Index of Refraction: 1.603
Molar Refractivity: 181.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.44
ACD/KOC (pH 5.5): 312.25
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.44
ACD/KOC (pH 7.4): 312.24
Polar Surface Area: 196 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 528.1±5.0 cm3

Click to predict properties on the Chemicalize site


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