ChemSpider 2D Image | (3beta,5beta,12beta,13alpha,17alpha)-12-Hydroxy-20-{[6-O-(alpha-D-mannopyranosyl)-alpha-D-mannopyranosyl]oxy}dammar-24-en-3-yl alpha-D-mannopyranoside | C48H82O18

(3β,5β,12β,13α,17α)-12-Hydroxy-20-{[6-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}dammar-24-en-3-yl α-D-mannopyranoside

  • Molecular FormulaC48H82O18
  • Average mass947.154 Da
  • Monoisotopic mass946.550110 Da
  • ChemSpider ID113608922
  • defined stereocentres - 25 of 25 defined stereocentres


More details:






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

(3β,5β,12β,13α,17α)-12-Hydroxy-20-{[6-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}dammar-24-en-3-yl α-D-mannopyranoside [ACD/IUPAC Name]
(3β,5β,12β,13α,17α)-12-Hydroxy-20-{[6-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}dammar-24-en-3-yl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside de (3β,5β,12β,13α,17α)-12-hydroxy-20-{[6-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}dammar-24-én-3-yle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, (3β,5β,12β,13α,17α)-12-hydroxy-20-[(6-O-α-D-mannopyranosyl-α-D-mannopyranosyl)oxy]dammar-24-en-3-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: 1013.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 167.6±6.0 kJ/mol
Flash Point: 566.8±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: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.27
ACD/KOC (pH 5.5): 389.99
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.27
ACD/KOC (pH 7.4): 389.99
Polar Surface Area: 298 Å2
Polarizability: 94.4±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 685.7±5.0 cm3

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