ChemSpider 2D Image | (2R)-2-(Nitrooxy)propyl 3-(nitrooxy)propyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C21H24N4O12

(2R)-2-(Nitrooxy)propyl 3-(nitrooxy)propyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC21H24N4O12
  • Average mass524.435 Da
  • Monoisotopic mass524.139099 Da
  • ChemSpider ID8273844

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-(Nitrooxy)propyl 3-(nitrooxy)propyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
(2R)-2-(Nitrooxy)propyl-3-(nitrooxy)propyl-(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
(4R)-2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de (2R)-2-(nitrooxy)propyle et de 3-(nitrooxy)propyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2R)-2-(nitrooxy)propyl 3-(nitrooxy)propyl ester, (4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 666.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.9±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 16
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3387.92
ACD/KOC (pH 5.5): 11699.72
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3391.84
ACD/KOC (pH 7.4): 11713.29
Polar Surface Area: 221 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 377.0±3.0 cm3

Click to predict properties on the Chemicalize site


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