ChemSpider 2D Image | (3beta,5beta,6beta,8alpha,10alpha,13alpha,14beta,17alpha)-6-{[2-O-(6-Deoxy-beta-D-gulopyranosyl)-alpha-D-mannopyranosyl]oxy}-3,12-dihydroxydammar-24-en-20-yl alpha-D-glucopyranoside | C48H82O18

(3β,5β,6β,8α,10α,13α,14β,17α)-6-{[2-O-(6-Deoxy-β-D-gulopyranosyl)-α-D-mannopyranosyl]oxy}-3,12-dihydroxydammar-24-en-20-yl α-D-glucopyranoside

  • Molecular FormulaC48H82O18
  • Average mass947.154 Da
  • Monoisotopic mass946.550110 Da
  • ChemSpider ID114391872
  • defined stereocentres - 26 of 26 defined stereocentres


More details:






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

(3β,5β,6β,8α,10α,13α,14β,17α)-6-{[2-O-(6-Deoxy-β-D-gulopyranosyl)-α-D-mannopyranosyl]oxy}-3,12-dihydroxydammar-24-en-20-yl α-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,6β,8α,10α,13α,14β,17α)-6-{[2-O-(6-Desoxy-β-D-gulopyranosyl)-α-D-mannopyranosyl]oxy}-3,12-dihydroxydammar-24-en-20-yl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside de (3β,5β,6β,8α,10α,13α,14β,17α)-6-{[2-O-(6-désoxy-β-D-gulopyranosyl)-α-D-mannopyranosyl]oxy}-3,12-dihydroxydammar-24-én-20-yle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (3β,5β,6β,8α,10α,13α,14β,17α)-6-[[2-O-(6-deoxy-β-D-gulopyranosyl)-α-D-mannopyranosyl]oxy]-3,12-dihydroxydammar-24-en-20-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: 1011.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.3±6.0 kJ/mol
Flash Point: 565.7±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 238.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.45
ACD/KOC (pH 5.5): 663.08
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.45
ACD/KOC (pH 7.4): 663.08
Polar Surface Area: 298 Å2
Polarizability: 94.4±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 686.3±5.0 cm3

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