ChemSpider 2D Image | (3R,6aS,9aR)-3-Hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione | C17H12O7

(3R,6aS,9aR)-3-Hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione

  • Molecular FormulaC17H12O7
  • Average mass328.273 Da
  • Monoisotopic mass328.058289 Da
  • ChemSpider ID68026364

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,6aS,9aR)-3-Hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1,11-dion [German] [ACD/IUPAC Name]
(3R,6aS,9aR)-3-Hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione [ACD/IUPAC Name]
(3R,6aS,9aR)-3-Hydroxy-4-méthoxy-2,3,6a,9a-tétrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromène-1,11-dione [French] [ACD/IUPAC Name]
Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-3-hydroxy-4-methoxy-, (3R,6aS,9aR)- [ACD/Index Name]
(3R,7S,14R)-14-Hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
56648-94-3 [RN]
epi-Aflatoxin Q1

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

Density: 1.7±0.1 g/cm3
Boiling Point: 589.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 224.5±23.6 °C
Index of Refraction: 1.714
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.30
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.30
Polar Surface Area: 91 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 197.5±5.0 cm3

Click to predict properties on the Chemicalize site


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