ChemSpider 2D Image | (6aS,7aS,8aR,8bS)-8b-Hydroxy-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 | C17H12O8

(6aS,7aS,8aR,8bS)-8b-Hydroxy-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 FormulaC17H12O8
  • Average mass344.272 Da
  • Monoisotopic mass344.053223 Da
  • ChemSpider ID30790984

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6aS,7aS,8aR,8bS)-8b-Hydroxy-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]
(6aS,7aS,8aR,8bS)-8b-Hydroxy-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]
(6aS,7aS,8aR,8bS)-8b-Hydroxy-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]
161596-64-1 [RN]
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-8b-hydroxy-4-methoxy-, (6aS,7aS,8aR,8bS)- [ACD/Index Name]
aflatoxin M1 8,9-epoxide
Aflatoxin-M1-8,9-epoxide
AFM1E

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

Density: 1.8±0.1 g/cm3
Boiling Point: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 259.8±25.0 °C
Index of Refraction: 1.739
Molar Refractivity: 77.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.21
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.21
Polar Surface Area: 104 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 88.8±5.0 dyne/cm
Molar Volume: 191.9±5.0 cm3

Click to predict properties on the Chemicalize site


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