ChemSpider 2D Image | 9,10-Anthracenedione, 1-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-6,8-dihydroxy-3-methyl- | C27H30O14

9,10-Anthracenedione, 1-((2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-6,8-dihydroxy-3-methyl-

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID116636
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 6,8-dihydroxy-3-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-((2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-6,8-dihydroxy-3-methyl-
9,10-Anthracenedione, 1-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-6,8-dihydroxy-3-methyl- [ACD/Index Name]
1,6,8-Tmarg
1,6,8-Trihydroxy-3-methylanthraquinone 1-O-rhamnosyl(1-2)glucoside
137162-02-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 959.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.4±3.0 kJ/mol
Flash Point: 319.9±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: 3.77
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 58.65
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.52
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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