ChemSpider 2D Image | (1R)-1,5-Anhydro-2,6-dideoxy-1-{1,5-dihydroxy-6-[(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutyl]-9,10-dioxo-9,10-dihydro-2-anthracenyl}-D-arabino-hexitol | C26H28O10

(1R)-1,5-Anhydro-2,6-dideoxy-1-{1,5-dihydroxy-6-[(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutyl]-9,10-dioxo-9,10-dihydro-2-anthracenyl}-D-arabino-hexitol

  • Molecular FormulaC26H28O10
  • Average mass500.495 Da
  • Monoisotopic mass500.168243 Da
  • ChemSpider ID26595775

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-2,6-dideoxy-1-{1,5-dihydroxy-6-[(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutyl]-9,10-dioxo-9,10-dihydro-2-anthracenyl}-D-arabino-hexitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didesoxy-1-{1,5-dihydroxy-6-[(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutyl]-9,10-dioxo-9,10-dihydro-2-anthracenyl}-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-2,6-didésoxy-1-{1,5-dihydroxy-6-[(2R)-2-hydroxy-4-méthoxy-2-méthyl-4-oxobutyl]-9,10-dioxo-9,10-dihydro-2-anthracényl}-D-arabino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, 1,5-anhydro-2,6-dideoxy-1-C-[9,10-dihydro-1,5-dihydroxy-6-[(2R)-2-hydroxy-4-methoxy-2-methyl-4-oxobutyl]-9,10-dioxo-2-anthracenyl]-, (1R)- [ACD/Index Name]
89495-27-2 [RN]
methyl (3R)-4-{6-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl}-3-hydroxy-3-methylbutanoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 734.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 247.5±26.4 °C
Index of Refraction: 1.649
Molar Refractivity: 124.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 91.49
ACD/KOC (pH 5.5): 827.93
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 19.69
Polar Surface Area: 171 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 342.0±3.0 cm3

Click to predict properties on the Chemicalize site


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