ChemSpider 2D Image | (1R)-1,5-Anhydro-1-{6-[(2R)-3-carboxy-2-hydroxy-2-methylpropyl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl}-2,6-dideoxy-D-arabino-hexitol | C25H26O10

(1R)-1,5-Anhydro-1-{6-[(2R)-3-carboxy-2-hydroxy-2-methylpropyl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl}-2,6-dideoxy-D-arabino-hexitol

  • Molecular FormulaC25H26O10
  • Average mass486.468 Da
  • Monoisotopic mass486.152588 Da
  • ChemSpider ID29814172

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-1-{6-[(2R)-3-carboxy-2-hydroxy-2-methylpropyl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl}-2,6-dideoxy-D-arabino-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-{6-[(2R)-3-carboxy-2-hydroxy-2-methylpropyl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl}-2,6-didesoxy-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-{6-[(2R)-3-carboxy-2-hydroxy-2-méthylpropyl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracényl}-2,6-didésoxy-D-arabino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, 1,5-anhydro-1-C-[6-[(2R)-3-carboxy-2-hydroxy-2-methylpropyl]-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2-anthracenyl]-2,6-dideoxy-, (1R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 739.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 252.2±26.4 °C
Index of Refraction: 1.680
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 21.03
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 82.6±3.0 dyne/cm
Molar Volume: 316.7±3.0 cm3

Click to predict properties on the Chemicalize site


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