ChemSpider 2D Image | oxirapentyn L | C16H21ClO5

oxirapentyn L

  • Molecular FormulaC16H21ClO5
  • Average mass328.788 Da
  • Monoisotopic mass328.107758 Da
  • ChemSpider ID61708749

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1aS,2R,4R,4aS,7R,8aS)-3-(2-Chlor-3-methyl-1,3-butadien-1-yliden)-6,6-dimethylhexahydro-1aH,6H-oxireno[e]chromen-2,4,7-triol [German] [ACD/IUPAC Name]
(1aS,2R,4R,4aS,7R,8aS)-3-(2-Chloro-3-methyl-1,3-butadien-1-ylidene)-6,6-dimethylhexahydro-1aH,6H-oxireno[e]chromene-2,4,7-triol [ACD/IUPAC Name]
(1aS,2R,4R,4aS,7R,8aS)-3-(2-Chloro-3-méthyl-1,3-butadién-1-ylidène)-6,6-diméthylhexahydro-1aH,6H-oxiréno[e]chromène-2,4,7-triol [French] [ACD/IUPAC Name]
3H,6H-Oxireno[e][1]benzopyran-2,4,7-triol, 3-(2-chloro-3-methyl-1,3-butadien-1-ylidene)hexahydro-6,6-dimethyl-, (1aS,2R,4R,4aS,7R,8aS)- [ACD/Index Name]
oxirapentyn L

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

Density: 1.3±0.1 g/cm3
Boiling Point: 560.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 292.9±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 81.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.10
ACD/KOC (pH 5.5): 231.34
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.10
ACD/KOC (pH 7.4): 231.34
Polar Surface Area: 82 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 243.8±5.0 cm3

Click to predict properties on the Chemicalize site


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