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Search term: QVCLPRPWHFBMTQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,5S)-1,8-Dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-one | C6H9NO4

(1R,5S)-1,8-Dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-one

  • Molecular FormulaC6H9NO4
  • Average mass159.140 Da
  • Monoisotopic mass159.053162 Da
  • ChemSpider ID30650531

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,5S)-1,8-Dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-on [German] [ACD/IUPAC Name]
(1R,5S)-1,8-Dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-one [ACD/IUPAC Name]
(1R,5S)-1,8-Dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-one [French] [ACD/IUPAC Name]
6-Oxa-3-azabicyclo[3.2.1]octan-2-one, 1,8-dihydroxy-, (1R,5S)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 415.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 205.2±31.5 °C
Index of Refraction: 1.746
Molar Refractivity: 32.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.95
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.94
Polar Surface Area: 82 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 89.3±7.0 dyne/cm
Molar Volume: 80.4±7.0 cm3

Click to predict properties on the Chemicalize site


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