ChemSpider 2D Image | (5R)-1-O-Acetyl-5-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-beta-L-lyxopyranose | C22H22O9

(5R)-1-O-Acetyl-5-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-β-L-lyxopyranose

  • Molecular FormulaC22H22O9
  • Average mass430.405 Da
  • Monoisotopic mass430.126373 Da
  • ChemSpider ID23284784

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5R)-1-O-Acetyl-5-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-β-L-lyxopyranose [German] [ACD/IUPAC Name]
(5R)-1-O-Acetyl-5-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-β-L-lyxopyranose [ACD/IUPAC Name]
(5R)-1-O-Acétyl-5-[(9R)-4,5-dihydroxy-2-méthyl-10-oxo-9,10-dihydro-9-anthracényl]-β-L-lyxopyranose [French] [ACD/IUPAC Name]
(5R)-1-O-acetyl-5-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl]-β-L-lyxopyranose
β-L-Lyxopyranose, 5-C-[(9R)-9,10-dihydro-4,5-dihydroxy-2-methyl-10-oxo-9-anthracenyl]-, 1-acetate, (5R)- [ACD/Index Name]
(10R)-C-(1-O-acetyl)-β-L-lyxopyranosyl-1,8-dihydroxy-3-methylanthracen-9(10H)-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 655.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 229.6±25.0 °C
Index of Refraction: 1.705
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.02
ACD/KOC (pH 5.5): 1115.29
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 42.24
ACD/KOC (pH 7.4): 367.96
Polar Surface Area: 154 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 91.2±5.0 dyne/cm
Molar Volume: 269.9±5.0 cm3

Click to predict properties on the Chemicalize site


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