ChemSpider 2D Image | (2R,4R)-13-Hydroxy-3,6,15-trioxatetracyclo[14.2.2.1~10,14~.0~2,4~]henicosa-1(18),10(21),11,13,16,19-hexaen-7-one | C18H16O5

(2R,4R)-13-Hydroxy-3,6,15-trioxatetracyclo[14.2.2.110,14.02,4]henicosa-1(18),10(21),11,13,16,19-hexaen-7-one

  • Molecular FormulaC18H16O5
  • Average mass312.317 Da
  • Monoisotopic mass312.099762 Da
  • ChemSpider ID29420613

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4R)-13-Hydroxy-3,6,15-trioxatetracyclo[14.2.2.110,14.02,4]henicosa-1(18),10(21),11,13,16,19-hexaen-7-on [German] [ACD/IUPAC Name]
(2R,4R)-13-Hydroxy-3,6,15-trioxatetracyclo[14.2.2.110,14.02,4]henicosa-1(18),10(21),11,13,16,19-hexaen-7-one [ACD/IUPAC Name]
(2R,4R)-13-Hydroxy-3,6,15-trioxatétracyclo[14.2.2.110,14.02,4]hénicosa-1(18),10(21),11,13,16,19-hexaén-7-one [French] [ACD/IUPAC Name]
3,6,15-Trioxatetracyclo[14.2.2.110,14.02,4]heneicosa-10,12,14(21),16,18,19-hexaen-7-one, 13-hydroxy-, (2R,4R)- [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: 553.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 207.2±23.6 °C
Index of Refraction: 1.599
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.62
ACD/KOC (pH 5.5): 271.29
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.31
ACD/KOC (pH 7.4): 266.50
Polar Surface Area: 68 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 239.3±3.0 cm3

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