ChemSpider 2D Image | (4R)-5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic (4S)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic anhydride | C32H30N4O11

(4R)-5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic (4S)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic anhydride

  • Molecular FormulaC32H30N4O11
  • Average mass646.601 Da
  • Monoisotopic mass646.191101 Da
  • ChemSpider ID165720

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridincarbonsäure(4S)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridincarbonsäureanhydrid [German] [ACD/IUPAC Name]
(4R)-5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic (4S)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic anhydride [ACD/IUPAC Name]
Anhydride (4R)-5-(méthoxycarbonyl)-2,6-diméthyl-4-(3-nitrophényl)-1,4-dihydro-3-pyridinecarboxylique-(4S)-5-(méthoxycarbonyl)-2,6-diméthyl-4-(3-nitrophényl)-1,4-dihydro-3-pyridinecarboxylique [French] [ACD/IUPAC Name]
155485-56-6 [RN]
meso-1,4-Dihydro-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridine carboxylic acid anhydride

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

Cgs 27830 [DBID]
CGS-27830 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 772.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 420.8±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 162.8±0.3 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1445.03
ACD/KOC (pH 5.5): 6357.28
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1446.96
ACD/KOC (pH 7.4): 6365.78
Polar Surface Area: 212 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 476.6±3.0 cm3

Click to predict properties on the Chemicalize site


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