ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,12alpha,13alpha,14beta,17alpha,20R)-20-(beta-L-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl beta-L-glucopyranoside | C42H72O13

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

  • Molecular FormulaC42H72O13
  • Average mass785.013 Da
  • Monoisotopic mass784.497314 Da
  • ChemSpider ID82827413

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3α,5β,8α,9β,10α,12α,13α,14β,17α,20R)-20-(β-L-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl β-L-glucopyranoside [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,12α,13α,14β,17α,20R)-20-(β-L-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside de (3α,5β,8α,9β,10α,12α,13α,14β,17α,20R)-20-(β-L-glucopyranosyloxy)-12-hydroxydammar-24-én-3-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3α,5β,8α,9β,10α,12α,13α,14β,17α,20R)-20-(β-L-glucopyranosyloxy)-12-hydroxydammar-24-en-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: 871.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.9±6.0 kJ/mol
Flash Point: 480.9±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 204.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.21
ACD/KOC (pH 5.5): 961.10
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.21
ACD/KOC (pH 7.4): 961.10
Polar Surface Area: 219 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 602.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement