ChemSpider 2D Image | CASCAROSIDE C | C27H32O13

CASCAROSIDE C

  • Molecular FormulaC27H32O13
  • Average mass564.535 Da
  • Monoisotopic mass564.184265 Da
  • ChemSpider ID30791741

  • 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-[(9S)-5-(β-D-glucopyranosyloxy)-4-hydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(9S)-5-(β-D-glucopyranosyloxy)-4-hydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(9S)-5-(β-D-glucopyranosyloxy)-4-hydroxy-2-méthyl-10-oxo-9,10-dihydro-9-anthracényl]-D-glucitol [French] [ACD/IUPAC Name]
53823-09-9 [RN]
CASCAROSIDE C
D-Glucitol, 1,5-anhydro-1-C-[(9S)-5-(β-D-glucopyranosyloxy)-9,10-dihydro-4-hydroxy-2-methyl-10-oxo-9-anthracenyl]-, (1S)- [ACD/Index Name]

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

U45NF14LVQ [DBID]
UNII:U45NF14LVQ [DBID]
UNII-U45NF14LVQ [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 892.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 297.6±27.8 °C
Index of Refraction: 1.709
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.68
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.82
Polar Surface Area: 227 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 95.3±3.0 dyne/cm
Molar Volume: 345.0±3.0 cm3

Click to predict properties on the Chemicalize site


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