ChemSpider 2D Image | Isopropyl (4S)-2-amino-4-(2,4-dichlorophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylate | C19H17Cl2NO6

Isopropyl (4S)-2-amino-4-(2,4-dichlorophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylate

  • Molecular FormulaC19H17Cl2NO6
  • Average mass426.247 Da
  • Monoisotopic mass425.043304 Da
  • ChemSpider ID62663284

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-2-Amino-4-(2,4-dichlorophényl)-6-(hydroxyméthyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyrane-3-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl (4S)-2-amino-4-(2,4-dichlorophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylate [ACD/IUPAC Name]
Isopropyl-(4S)-2-amino-4-(2,4-dichlorphenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylat [German] [ACD/IUPAC Name]
Pyrano[3,2-b]pyran-3-carboxylic acid, 2-amino-4-(2,4-dichlorophenyl)-4,8-dihydro-6-(hydroxymethyl)-8-oxo-, 1-methylethyl ester, (4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 640.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.4±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 101.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.55
ACD/KOC (pH 5.5): 718.59
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.71
ACD/KOC (pH 7.4): 740.98
Polar Surface Area: 108 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 280.8±5.0 cm3

Click to predict properties on the Chemicalize site


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