ChemSpider 2D Image | 2,3-(S)-hexahydroxydiphenoyl-D-glucose | C20H18O14

2,3-(S)-hexahydroxydiphenoyl-D-glucose

  • Molecular FormulaC20H18O14
  • Average mass482.349 Da
  • Monoisotopic mass482.069641 Da
  • ChemSpider ID23340129

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,4R,4aS,16aR)-1,4,8,9,10,11,12,13-Octahydroxy-3-(hydroxymethyl)-3,4,4a,16a-tetrahydro-1H-dibenzo[f,h]pyrano[3,4-b][1,4]dioxecin-6,15-dion [German] [ACD/IUPAC Name]
(3R,4R,4aS,16aR)-1,4,8,9,10,11,12,13-Octahydroxy-3-(hydroxymethyl)-3,4,4a,16a-tetrahydro-1H-dibenzo[f,h]pyrano[3,4-b][1,4]dioxecine-6,15-dione [ACD/IUPAC Name]
(3R,4R,4aS,16aR)-1,4,8,9,10,11,12,13-Octahydroxy-3-(hydroxyméthyl)-3,4,4a,16a-tétrahydro-1H-dibenzo[f,h]pyrano[3,4-b][1,4]dioxécine-6,15-dione [French] [ACD/IUPAC Name]
1H-Dibenzo[f,h]pyrano[3,4-b][1,4]dioxecin-6,15-dione, 3,4,4a,16a-tetrahydro-1,4,8,9,10,11,12,13-octahydroxy-3-(hydroxymethyl)-, (3R,4R,4aS,16aR)- [ACD/Index Name]
2,3-(S)-hexahydroxydiphenoyl-D-glucose [Wiki]
CHEMBL458193
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458193/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1159.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 179.4±3.0 kJ/mol
Flash Point: 400.9±27.8 °C
Index of Refraction: 1.751
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.25
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.53
Polar Surface Area: 244 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 111.4±3.0 dyne/cm
Molar Volume: 258.2±3.0 cm3

Click to predict properties on the Chemicalize site


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