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Search term: XVLAPOPJFILILC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5aS,9aR)-5a-(2-Hydroxy-2-propanyl)-9a-methyl-4,5,5a,8,9,9a-hexahydro-3H-furo[3,4-f]chromene-3,7(1H)-dione | C15H20O5

(5aS,9aR)-5a-(2-Hydroxy-2-propanyl)-9a-methyl-4,5,5a,8,9,9a-hexahydro-3H-furo[3,4-f]chromene-3,7(1H)-dione

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID28533910

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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(5aS,9aR)-5a-(2-Hydroxy-2-propanyl)-9a-methyl-4,5,5a,8,9,9a-hexahydro-3H-furo[3,4-f]chromen-3,7(1H)-dion [German] [ACD/IUPAC Name]
(5aS,9aR)-5a-(2-Hydroxy-2-propanyl)-9a-methyl-4,5,5a,8,9,9a-hexahydro-3H-furo[3,4-f]chromene-3,7(1H)-dione [ACD/IUPAC Name]
(5aS,9aR)-5a-(2-Hydroxy-2-propanyl)-9a-méthyl-4,5,5a,8,9,9a-hexahydro-3H-furo[3,4-f]chromène-3,7(1H)-dione [French] [ACD/IUPAC Name]
3H-Furo[3,4-f][1]benzopyran-3,7(1H)-dione, 4,5,5a,8,9,9a-hexahydro-5a-(1-hydroxy-1-methylethyl)-9a-methyl-, (5aS,9aR)- [ACD/Index Name]
diaporol A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.5±6.0 kJ/mol
Flash Point: 191.7±23.6 °C
Index of Refraction: 1.557
Molar Refractivity: 70.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.84
ACD/KOC (pH 5.5): 91.14
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.84
ACD/KOC (pH 7.4): 91.14
Polar Surface Area: 73 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

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