ChemSpider 2D Image | salicortin | C20H24O10

salicortin

  • Molecular FormulaC20H24O10
  • Average mass424.399 Da
  • Monoisotopic mass424.136932 Da
  • ChemSpider ID34501311

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S)-1-Hydroxy-6-oxo-2-cyclohexène-1-carboxylate de 2-(β-D-glucopyranosyloxy)benzyle [French] [ACD/IUPAC Name]
1887055-63-1 [RN]
2-(β-D-Glucopyranosyloxy)benzyl (1S)-1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)benzyl-(1S)-1-hydroxy-6-oxo-2-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-(β-D-glucopyranosyloxy)phenyl]methyl ester, (1S)- [ACD/Index Name]
salicortin
[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl (1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
29836-41-7 [RN]
UNII-YI29948E0Q
β-D-Glucopyranoside, 2-[[[[(1S)-1-hydroxy-6-oxo-2-cyclohexen-1-yl]carbonyl]oxy]methyl]phenyl

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

Density: 1.5±0.1 g/cm3
Boiling Point: 664.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 233.9±25.0 °C
Index of Refraction: 1.642
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.56
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.66
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.66
Polar Surface Area: 163 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 82.1±3.0 dyne/cm
Molar Volume: 277.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement