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Search term: 78437081 (Found by CSID)
ChemSpider 2D Image | (1R)-1-[(1S,2R)-2-Acetoxy-1-hydroxy-5-oxo-3-cyclopenten-1-yl]tridecyl acetate | C22H36O6

(1R)-1-[(1S,2R)-2-Acetoxy-1-hydroxy-5-oxo-3-cyclopenten-1-yl]tridecyl acetate

  • Molecular FormulaC22H36O6
  • Average mass396.518 Da
  • Monoisotopic mass396.251190 Da
  • ChemSpider ID78437081

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R)-1-[(1S,2R)-2-Acetoxy-1-hydroxy-5-oxo-3-cyclopenten-1-yl]tridecyl acetate [ACD/IUPAC Name]
(1R)-1-[(1S,2R)-2-Acetoxy-1-hydroxy-5-oxo-3-cyclopenten-1-yl]tridecyl-acetat [German] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 4-(acetyloxy)-5-[(1R)-1-(acetyloxy)tridecyl]-5-hydroxy-, (4R,5S)- [ACD/Index Name]
Acétate de (1R)-1-[(1S,2R)-2-acétoxy-1-hydroxy-5-oxo-3-cyclopentén-1-yl]tridécyle [French] [ACD/IUPAC Name]
4,6-diacetylhygrophorone A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 493.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.6±6.0 kJ/mol
Flash Point: 158.4±22.2 °C
Index of Refraction: 1.497
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11756.45
ACD/KOC (pH 5.5): 28516.22
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11750.08
ACD/KOC (pH 7.4): 28500.76
Polar Surface Area: 90 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 366.3±5.0 cm3

Click to predict properties on the Chemicalize site


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