ChemSpider 2D Image | (6aS,8S,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl methyl succinate | C22H20O10

(6aS,8S,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl methyl succinate

  • Molecular FormulaC22H20O10
  • Average mass444.388 Da
  • Monoisotopic mass444.105652 Da
  • ChemSpider ID29214990

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6aS,8S,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl methyl succinate [ACD/IUPAC Name]
(6aS,8S,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl-methyl-succinat [German] [ACD/IUPAC Name]
Butanedioic acid, methyl (6aS,8S,9aS)-1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl ester [ACD/Index Name]
Succinate de (6aS,8S,9aS)-4-méthoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromén-8-yle et de méthyle [French] [ACD/IUPAC Name]
aflatoxin B2b

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

Density: 1.5±0.1 g/cm3
Boiling Point: 619.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 269.8±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.20
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 75.80
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.97
ACD/KOC (pH 7.4): 75.80
Polar Surface Area: 124 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 293.4±5.0 cm3

Click to predict properties on the Chemicalize site


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