ChemSpider 2D Image | 4,5-Dihydroxy-7-methyl-10-oxo-9,10-dihydro-2-anthracenyl 2,3-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside | C25H26O10

4,5-Dihydroxy-7-methyl-10-oxo-9,10-dihydro-2-anthracenyl 2,3-di-O-acetyl-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC25H26O10
  • Average mass486.468 Da
  • Monoisotopic mass486.152588 Da
  • ChemSpider ID23340085

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3-Di-O-acétyl-6-désoxy-α-L-mannopyranoside de 4,5-dihydroxy-7-méthyl-10-oxo-9,10-dihydro-2-anthracényle [French] [ACD/IUPAC Name]
4,5-Dihydroxy-7-methyl-10-oxo-9,10-dihydro-2-anthracenyl 2,3-di-O-acetyl-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
4,5-Dihydroxy-7-methyl-10-oxo-9,10-dihydro-2-anthracenyl-2,3-di-O-acetyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
9(10H)-Anthracenone, 3-[(2,3-di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-1,8-dihydroxy-6-methyl- [ACD/Index Name]
4,5-dihydroxy-7-methyl-10-oxo-9,10-dihydroanthracen-2-yl 2,3-di-O-acetyl-6-deoxy-α-L-mannopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465506/
Prinoidin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 723.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 246.4±26.4 °C
Index of Refraction: 1.640
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 815.38
ACD/KOC (pH 5.5): 4165.76
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 138.72
ACD/KOC (pH 7.4): 708.74
Polar Surface Area: 149 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 331.4±5.0 cm3

Click to predict properties on the Chemicalize site


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