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

(3α,5β,6β,8α,9β,10α,12α,13α,14β,17α,20R)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-β-L-glucopyranosyl-β-L-glucopyranoside

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID68905930

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3α,5β,6β,8α,9β,10α,12α,13α,14β,17α,20R)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-β-L-glucopyranosyl-β-L-glucopyranoside [ACD/IUPAC Name]
(3α,5β,6β,8α,9β,10α,12α,13α,14β,17α,20R)-3,12,20-Trihydroxydammar-24-en-6-yl-2-O-β-L-glucopyranosyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-L-Glucopyranosyl-β-L-glucopyranoside de (3α,5β,6β,8α,9β,10α,12α,13α,14β,17α,20R)-3,12,20-trihydroxydammar-24-én-6-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3α,5β,6β,8α,9β,10α,12α,13α,14β,17α,20R)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-β-L-glucopyranosyl- [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: 912.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.6±6.0 kJ/mol
Flash Point: 505.5±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: 3.51
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.10
ACD/KOC (pH 5.5): 531.41
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.10
ACD/KOC (pH 7.4): 531.41
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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