ChemSpider 2D Image | (3beta,8xi,9beta,16beta,22S)-3-(alpha-L-Arabinopyranosyloxy)-16,22-dihydroxy-9,19-cyclolanost-24-en-28-yl beta-D-glucopyranoside | C41H68O13

(3β,8ξ,9β,16β,22S)-3-(α-L-Arabinopyranosyloxy)-16,22-dihydroxy-9,19-cyclolanost-24-en-28-yl β-D-glucopyranoside

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID8231518

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(3β,8ξ,9β,16β,22S)-3-(α-L-Arabinopyranosyloxy)-16,22-dihydroxy-9,19-cyclolanost-24-en-28-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,8ξ,9β,16β,22S)-3-(α-L-Arabinopyranosyloxy)-16,22-dihydroxy-9,19-cyclolanost-24-en-28-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,8ξ,9β,16β,22S)-3-(α-L-arabinopyranosyloxy)-16,22-dihydroxy-9,19-cyclolanost-24-én-28-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,8ξ,9β,16β,22S)-3-(α-L-arabinopyranosyloxy)-16,22-dihydroxy-9,19-cyclolanost-24-en-28-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: 889.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.8±6.0 kJ/mol
Flash Point: 491.7±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 197.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.92
ACD/KOC (pH 5.5): 414.94
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.92
ACD/KOC (pH 7.4): 414.94
Polar Surface Area: 219 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 567.9±5.0 cm3

Click to predict properties on the Chemicalize site


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