ChemSpider 2D Image | (2R,4R,4aS)-2,4-Dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione | C17H18N4O6

(2R,4R,4aS)-2,4-Dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

  • Molecular FormulaC17H18N4O6
  • Average mass374.348 Da
  • Monoisotopic mass374.122620 Da
  • ChemSpider ID77406615

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4R,4aS)-2,4-Dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione [ACD/IUPAC Name]
Spiro[1,4-oxazino[4,3-a]quinoline-5(6H),5'(2'H)-pyrimidine]-2',4',6'(1'H,3'H)-trione, 1,2,4,4a-tetrahydro-2,4-dimethyl-8-nitro-, (2R,4R,4aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 90.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.04
ACD/KOC (pH 5.5): 434.26
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 26.77
ACD/KOC (pH 7.4): 341.55
Polar Surface Area: 134 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 245.7±5.0 cm3

Click to predict properties on the Chemicalize site


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