ChemSpider 2D Image | (1R,2S,6R,7S)-4-Hydroxy-2,6-dimethyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione | C10H13NO4

(1R,2S,6R,7S)-4-Hydroxy-2,6-dimethyl-10-oxa-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

  • Molecular FormulaC10H13NO4
  • Average mass211.214 Da
  • Monoisotopic mass211.084457 Da
  • ChemSpider ID57316913

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,6R,7S)-4-Hydroxy-2,6-dimethyl-10-oxa-4-azatricyclo[5.2.1.02,6]decan-3,5-dion [German] [ACD/IUPAC Name]
(1R,2S,6R,7S)-4-Hydroxy-2,6-dimethyl-10-oxa-4-azatricyclo[5.2.1.02,6]decane-3,5-dione [ACD/IUPAC Name]
(1R,2S,6R,7S)-4-Hydroxy-2,6-diméthyl-10-oxa-4-azatricyclo[5.2.1.02,6]décane-3,5-dione [French] [ACD/IUPAC Name]
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-2-hydroxy-3a,7a-dimethyl-, (3aR,4S,7R,7aS)- [ACD/Index Name]
76057-97-1 [RN]
N-HYDROXY CANTHARIDINIMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 344.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.2±6.0 kJ/mol
Flash Point: 162.4±30.7 °C
Index of Refraction: 1.615
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.59
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.11
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.31
Polar Surface Area: 67 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 141.0±3.0 cm3

Click to predict properties on the Chemicalize site


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