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Search term: BTZKNOYFHKLRMW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4R,5S)-1-Benzylhexahydro-1H-cyclopenta[c][1,2]oxazole-4,5,6-triyl triacetate | C19H23NO7

(4R,5S)-1-Benzylhexahydro-1H-cyclopenta[c][1,2]oxazole-4,5,6-triyl triacetate

  • Molecular FormulaC19H23NO7
  • Average mass377.388 Da
  • Monoisotopic mass377.147461 Da
  • ChemSpider ID30651416

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(4R,5S)-1-Benzylhexahydro-1H-cyclopenta[c][1,2]oxazol-4,5,6-triyl-triacetat [German] [ACD/IUPAC Name]
(4R,5S)-1-Benzylhexahydro-1H-cyclopenta[c][1,2]oxazole-4,5,6-triyl triacetate [ACD/IUPAC Name]
1H-Cyclopent[c]isoxazole-4,5,6-triol, hexahydro-1-(phenylmethyl)-, triacetate (ester), (4R,5S)- [ACD/Index Name]
Triacétate de (4R,5S)-1-benzylhexahydro-1H-cyclopenta[c][1,2]oxazole-4,5,6-triyle [French] [ACD/IUPAC 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: 448.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.7±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.29
ACD/KOC (pH 5.5): 310.70
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.29
ACD/KOC (pH 7.4): 310.70
Polar Surface Area: 91 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 290.1±5.0 cm3

Click to predict properties on the Chemicalize site


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