ChemSpider 2D Image | 4,7-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 3-O-acetyl-2-O-(6-deoxy-beta-D-mannopyranosyl)-beta-D-glucopyranoside | C29H32O15

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

  • Molecular FormulaC29H32O15
  • Average mass620.555 Da
  • Monoisotopic mass620.174133 Da
  • ChemSpider ID24708866

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-O-Acétyl-2-O-(6-désoxy-β-D-mannopyranosyl)-β-D-glucopyranoside 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 3-O-acetyl-2-O-(6-deoxy-β-D-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4,7-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl-3-O-acetyl-2-O-(6-desoxy-β-D-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 3-[[3-O-acetyl-2-O-(6-deoxy-β-D-mannopyranosyl)-β-D-glucopyranosyl]oxy]-1,6-dihydroxy-2-methyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL499694/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 894.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.1±3.0 kJ/mol
Flash Point: 292.4±27.8 °C
Index of Refraction: 1.692
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.13
ACD/KOC (pH 5.5): 149.14
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.82
Polar Surface Area: 239 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 96.9±5.0 dyne/cm
Molar Volume: 374.7±5.0 cm3

Click to predict properties on the Chemicalize site


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