ChemSpider 2D Image | Methyl (4R)-2-amino-4-(3-chloro-4-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylate | C17H13ClN2O8

Methyl (4R)-2-amino-4-(3-chloro-4-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylate

  • Molecular FormulaC17H13ClN2O8
  • Average mass408.747 Da
  • Monoisotopic mass408.036041 Da
  • ChemSpider ID62564286

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2-Amino-4-(3-chloro-4-nitrophényl)-6-(hydroxyméthyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyrane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (4R)-2-amino-4-(3-chloro-4-nitrophenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carboxylate [ACD/IUPAC Name]
Methyl-(4R)-2-amino-4-(3-chlor-4-nitrophenyl)-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-(3-chloro-4-nitrophenyl)-4,8-dihydro-6-(hydroxymethyl)-8-oxo-, methyl ester, (4R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 93.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.96
ACD/KOC (pH 5.5): 93.10
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 93.48
Polar Surface Area: 154 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 79.1±5.0 dyne/cm
Molar Volume: 248.1±5.0 cm3

Click to predict properties on the Chemicalize site


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