ChemSpider 2D Image | 4,7-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 2-O-(6-deoxy-beta-L-mannopyranosyl)-beta-D-galactopyranoside | C27H30O14

4,7-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 2-O-(6-deoxy-β-L-mannopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID114642703

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-(6-Désoxy-β-L-mannopyranosyl)-β-D-galactopyranoside de 4,7-dihydroxy-3-méthyl-9,10-dioxo-9,10-dihydro-2-anthracényle [French] [ACD/IUPAC Name]
4,7-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 2-O-(6-deoxy-β-L-mannopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
4,7-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl-2-O-(6-desoxy-β-L-mannopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 3-[[2-O-(6-deoxy-β-L-mannopyranosyl)-β-D-galactopyranosyl]oxy]-1,6-dihydroxy-2-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 911.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 303.8±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.95
ACD/KOC (pH 5.5): 53.61
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 233 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 108.0±5.0 dyne/cm
Molar Volume: 337.1±5.0 cm3

Click to predict properties on the Chemicalize site


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