ChemSpider 2D Image | ALOINOSIDE B | C27H32O13

ALOINOSIDE B

  • Molecular FormulaC27H32O13
  • Average mass564.535 Da
  • Monoisotopic mass564.184265 Da
  • ChemSpider ID30791571

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[(9R)-2-{[(6-deoxy-α-L-mannopyranosyl)oxy]methyl}-4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(9R)-2-{[(6-desoxy-α-L-mannopyranosyl)oxy]methyl}-4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(9R)-2-{[(6-désoxy-α-L-mannopyranosyl)oxy]méthyl}-4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracényl]-D-glucitol [French] [ACD/IUPAC Name]
11006-91-0 [RN]
ALOINOSIDE B
D-Glucitol, 1,5-anhydro-1-C-[(9R)-2-[[(6-deoxy-α-L-mannopyranosyl)oxy]methyl]-9,10-dihydro-4,5-dihydroxy-10-oxo-9-anthracenyl]-, (1S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 862.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.3±3.0 kJ/mol
Flash Point: 287.2±27.8 °C
Index of Refraction: 1.736
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.22
ACD/KOC (pH 5.5): 127.66
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 29.98
Polar Surface Area: 227 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 110.2±5.0 dyne/cm
Molar Volume: 332.7±5.0 cm3

Click to predict properties on the Chemicalize site


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