ChemSpider 2D Image | 2-[4-(2,3-Dihydroxypropoxy)phenyl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C27H30N2O9

2-[4-(2,3-Dihydroxypropoxy)phenyl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC27H30N2O9
  • Average mass526.535 Da
  • Monoisotopic mass526.195129 Da
  • ChemSpider ID113888

More details:

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

2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de 2-[4-(2,3-dihydroxypropoxy)phényl]éthyle et de méthyle [French] [ACD/IUPAC Name]
2-[4-(2,3-Dihydroxypropoxy)phenyl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
2-[4-(2,3-Dihydroxypropoxy)phenyl]ethyl-methyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(2,3-dihydroxypropoxy)phenyl)ethyl methyl ester
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl methyl ester [ACD/Index Name]
104060-12-0 [RN]
2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl methyl 2,6-dimethyl-4-(3-nitro phenyl)-1,4-dihydropyridine-3
2-[4-(2,3-DIHYDROXYPROPOXY)PHENYL]ETHYL METHYL 2,6-DIMETHYL-4-(3-NITRO PHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
QKX40Y8NJN
RS 93522-004
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

RS-93522 [DBID]
RS 93522 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.1±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 481.34
ACD/KOC (pH 5.5): 2894.13
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 482.06
ACD/KOC (pH 7.4): 2898.44
Polar Surface Area: 160 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 401.9±3.0 cm3

Click to predict properties on the Chemicalize site


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