ChemSpider 2D Image | CASCAROSIDE E | C27H32O14

CASCAROSIDE E

  • Molecular FormulaC27H32O14
  • Average mass580.535 Da
  • Monoisotopic mass580.179199 Da
  • ChemSpider ID32698170

  • 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)-4-(β-D-glucopyranosyloxy)-2,5-dihydroxy-7-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(9R)-4-(β-D-glucopyranosyloxy)-2,5-dihydroxy-7-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(9R)-4-(β-D-glucopyranosyloxy)-2,5-dihydroxy-7-méthyl-10-oxo-9,10-dihydro-9-anthracényl]-D-glucitol [French] [ACD/IUPAC Name]
164178-32-9 [RN]
CASCAROSIDE E
D-Glucitol, 1,5-anhydro-1-C-[(9R)-4-(β-D-glucopyranosyloxy)-9,10-dihydro-2,5-dihydroxy-7-methyl-10-oxo-9-anthracenyl]-, (1S)- [ACD/Index Name]
9(10H)-Anthracenone,10-b-D-glucopyranosyl-1-(b-D-glucopyranosyloxy)-3,8-dihydroxy-6-methyl-,(9R)- (9CI)

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

70L96GE97H [DBID]
UNII:70L96GE97H [DBID]
UNII-70L96GE97H [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: 930.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.8±3.0 kJ/mol
Flash Point: 309.4±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.75
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.79
Polar Surface Area: 247 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 102.6±3.0 dyne/cm
Molar Volume: 343.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement