ChemSpider 2D Image | (Butyryloxy)methyl methyl (4S)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C21H23Cl2NO6

(Butyryloxy)methyl methyl (4S)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC21H23Cl2NO6
  • Average mass456.316 Da
  • Monoisotopic mass455.090240 Da
  • ChemSpider ID18895858

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(2,3-Dichlorophényl)-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de (butyryloxy)méthyle et de méthyle [French] [ACD/IUPAC Name]
(Butyryloxy)methyl methyl (4S)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
(Butyryloxy)methyl-methyl-(4S)-4-(2,3-dichlorphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
167356-39-0 [RN]
3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, methyl (1-oxobutoxy)methyl ester, (4S)- [ACD/Index Name]
( -)-Hydroxymethyl-methyl 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate, butyrate (ester).
(4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(butyryloxymethyl) O5-methyl ester
(4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-methyl O3-(1-oxobutoxymethyl) ester
166432-28-6 [RN]
167221-71-8 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7405T4734R [DBID]

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

Density: 1.3±0.0 g/cm3
Boiling Point: 539.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 81.7±0.0 kJ/mol
Flash Point: 280.2±0.0 °C
Index of Refraction: 1.542
Molar Refractivity: 111.5±0.0 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4502.35
ACD/KOC (pH 5.5): 14342.18
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4506.29
ACD/KOC (pH 7.4): 14354.74
Polar Surface Area: 91 Å2
Polarizability: 44.2±0.0 10-24cm3
Surface Tension: 44.2±0.0 dyne/cm
Molar Volume: 353.8±0.0 cm3

Click to predict properties on the Chemicalize site


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