ChemSpider 2D Image | (3alpha,5xi,6beta,8alpha,9xi,10alpha,12alpha,13alpha,14beta,17alpha,20R)-20-(beta-L-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl beta-L-glucopyranoside | C42H72O14

(3α,5ξ,6β,8α,9ξ,10α,12α,13α,14β,17α,20R)-20-(β-L-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl β-L-glucopyranoside

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID113600456

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(3α,5ξ,6β,8α,9ξ,10α,12α,13α,14β,17α,20R)-20-(β-L-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl β-L-glucopyranoside [ACD/IUPAC Name]
(3α,5ξ,6β,8α,9ξ,10α,12α,13α,14β,17α,20R)-20-(β-L-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside de (3α,5ξ,6β,8α,9ξ,10α,12α,13α,14β,17α,20R)-20-(β-L-glucopyranosyloxy)-3,12-dihydroxydammar-24-én-6-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3α,5ξ,6β,8α,9ξ,10α,12α,13α,14β,17α,20R)-20-(β-L-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-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: 898.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.3±6.0 kJ/mol
Flash Point: 497.2±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 205.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.10
ACD/KOC (pH 5.5): 182.01
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.10
ACD/KOC (pH 7.4): 182.01
Polar Surface Area: 239 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 600.4±5.0 cm3

Click to predict properties on the Chemicalize site


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