Found 9 results

Search term: JUOYGOHTZCDYRE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,4S,5S,6S,8S,9R,12S,13R)-6-Hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecan-10-one | C15H22O6

(1S,4S,5S,6S,8S,9R,12S,13R)-6-Hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

  • Molecular FormulaC15H22O6
  • Average mass298.332 Da
  • Monoisotopic mass298.141632 Da
  • ChemSpider ID24632523

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4S,5S,6S,8S,9R,12S,13R)-6-Hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-on [German] [ACD/IUPAC Name]
(1S,4S,5S,6S,8S,9R,12S,13R)-6-Hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one [ACD/IUPAC Name]
(1S,4S,5S,6S,8S,9R,12S,13R)-6-Hydroxy-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadécan-10-one [French] [ACD/IUPAC Name]
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-7-hydroxy-3,6,9-trimethyl-, (3S,5aS,6S,7S,8aS,9R,12S,12aR)- [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: 437.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±6.0 kJ/mol
Flash Point: 161.0±22.2 °C
Index of Refraction: 1.553
Molar Refractivity: 71.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.84
ACD/KOC (pH 5.5): 165.56
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.84
ACD/KOC (pH 7.4): 165.56
Polar Surface Area: 74 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 224.5±5.0 cm3

Click to predict properties on the Chemicalize site


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