ChemSpider 2D Image | (7aR,8aS)-4-Methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione | C17H12O7

(7aR,8aS)-4-Methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione

  • Molecular FormulaC17H12O7
  • Average mass328.273 Da
  • Monoisotopic mass328.058289 Da
  • ChemSpider ID58145435

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(7aR,8aS)-4-Methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromen-1,10-dion [German] [ACD/IUPAC Name]
(7aR,8aS)-4-Methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione [ACD/IUPAC Name]
(7aR,8aS)-4-Méthoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxiréno[4',5']furo[3',2':4,5]furo[2,3-h]chromène-1,10-dione [French] [ACD/IUPAC Name]
Cyclopent[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,10-dione, 2,3,6a,7a,8a,8b-hexahydro-4-methoxy-, (7aR,8aS)- [ACD/Index Name]
141899-13-0 [RN]
Aflatoxin B1-endo-8,9-epoxide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 549.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 247.5±30.2 °C
Index of Refraction: 1.706
Molar Refractivity: 75.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.09
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.09
Polar Surface Area: 84 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 194.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement