ChemSpider 2D Image | 1,5-Anhydro-1-(2-{[(6-deoxyhexopyranosyl)oxy]methyl}-4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)hexitol | C27H32O13

1,5-Anhydro-1-(2-{[(6-deoxyhexopyranosyl)oxy]methyl}-4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)hexitol

  • Molecular FormulaC27H32O13
  • Average mass564.535 Da
  • Monoisotopic mass564.184265 Da
  • ChemSpider ID277138

More details:

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

1,5-Anhydro-1-(2-{[(6-deoxyhexopyranosyl)oxy]methyl}-4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-(2-{[(6-desoxyhexopyranosyl)oxy]methyl}-4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-(2-{[(6-désoxyhexopyranosyl)oxy]méthyl}-4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracényl)hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,5-anhydro-1-C-[2-[[(6-deoxyhexopyranosyl)oxy]methyl]-9,10-dihydro-4,5-dihydroxy-10-oxo-9-anthracenyl]- [ACD/Index Name]
ALOINOSIDE B

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

NSC227188 [DBID]

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


Advertisement