ChemSpider 2D Image | (1R,3S,5R,7S,9S,11R)-2,6,8,10,12-Pentanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0~3,11~.0~5,9~]dodecane-4-carbaldehyde | C7H7N11O11

(1R,3S,5R,7S,9S,11R)-2,6,8,10,12-Pentanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.03,11.05,9]dodecane-4-carbaldehyde

  • Molecular FormulaC7H7N11O11
  • Average mass421.198 Da
  • Monoisotopic mass421.032654 Da
  • ChemSpider ID24743825

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3S,5R,7S,9S,11R)-2,6,8,10,12-Pentanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.03,11.05,9]dodecan-4-carbaldehyd [German] [ACD/IUPAC Name]
(1R,3S,5R,7S,9S,11R)-2,6,8,10,12-Pentanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.03,11.05,9]dodecane-4-carbaldehyde [ACD/IUPAC Name]
(1R,3S,5R,7S,9S,11R)-2,6,8,10,12-Pentanitro-2,4,6,8,10,12-hexaazatétracyclo[5.5.0.03,11.05,9]dodécane-4-carbaldéhyde [French] [ACD/IUPAC Name]
5,2,6-(Iminomethanetriylimino)-7H-imidazo[4,5-b]pyrazine-7-carboxaldehyde, octahydro-1,3,4,8,10-pentanitro-, (2R,3aR,5S,6R,7aS,9S)- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1321.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 199.8±3.0 kJ/mol
Flash Point: 752.9±34.3 °C
Index of Refraction: 1.922
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 22
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.05
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.05
Polar Surface Area: 266 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 207.2±5.0 dyne/cm
Molar Volume: 169.0±5.0 cm3

Click to predict properties on the Chemicalize site


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