ChemSpider 2D Image | (3aR,4S,5aR,9aS,9bS)-3,9-Bis(methylene)-2,8-dioxo-5a-vinyldecahydro-2H-furo[2,3-f]isochromen-4-yl 2-(hydroxymethyl)acrylate | C19H20O7

(3aR,4S,5aR,9aS,9bS)-3,9-Bis(methylene)-2,8-dioxo-5a-vinyldecahydro-2H-furo[2,3-f]isochromen-4-yl 2-(hydroxymethyl)acrylate

  • Molecular FormulaC19H20O7
  • Average mass360.358 Da
  • Monoisotopic mass360.120911 Da
  • ChemSpider ID68905865

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,4S,5aR,9aS,9bS)-3,9-Bis(methylene)-2,8-dioxo-5a-vinyldecahydro-2H-furo[2,3-f]isochromen-4-yl 2-(hydroxymethyl)acrylate [ACD/IUPAC Name]
(3aR,4S,5aR,9aS,9bS)-3,9-Dimethylen-2,8-dioxo-5a-vinyldecahydro-2H-furo[2,3-f]isochromen-4-yl-2-(hydroxymethyl)acrylat [German] [ACD/IUPAC Name]
2-(Hydroxyméthyl)acrylate de (3aR,4S,5aR,9aS,9bS)-3,9-diméthylène-2,8-dioxo-5a-vinyldécahydro-2H-furo[2,3-f]isochromén-4-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,5aR,9aS,9bS)-5a-ethenyldecahydro-3,9-bis(methylene)-2,8-dioxo-2H-furo[2,3-f][2]benzopyran-4-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 216.6±23.6 °C
Index of Refraction: 1.563
Molar Refractivity: 89.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 86.48
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.57
ACD/KOC (pH 7.4): 86.48
Polar Surface Area: 99 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 274.9±5.0 cm3

Click to predict properties on the Chemicalize site


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