ChemSpider 2D Image | (1S,2R,4R,5R,6S,7R,8R,11S)-4,5,7,11-Tetrahydroxy-2,7-dimethyl-10H-spiro[9-oxatricyclo[6.3.1.0~1,5~]dodecane-6,3'-oxetane]-2',10-dione | C15H20O8

(1S,2R,4R,5R,6S,7R,8R,11S)-4,5,7,11-Tetrahydroxy-2,7-dimethyl-10H-spiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione

  • Molecular FormulaC15H20O8
  • Average mass328.315 Da
  • Monoisotopic mass328.115814 Da
  • ChemSpider ID24716609

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,4R,5R,6S,7R,8R,11S)-4,5,7,11-Tetrahydroxy-2,7-dimethyl-10H-spiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517697/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 609.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 230.1±25.0 °C
Index of Refraction: 1.648
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.08
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.08
Polar Surface Area: 134 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 84.3±5.0 dyne/cm
Molar Volume: 200.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement