ChemSpider 2D Image | 2-[(2R)-1-Carboxy-3-(1-naphthyl)-2-propanyl]-1,3-dioxo-5-isoindolinecarboxylic acid | C23H17NO6

2-[(2R)-1-Carboxy-3-(1-naphthyl)-2-propanyl]-1,3-dioxo-5-isoindolinecarboxylic acid

  • Molecular FormulaC23H17NO6
  • Average mass403.384 Da
  • Monoisotopic mass403.105591 Da
  • ChemSpider ID25058908

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-[(2R)-1-Carboxy-3-(1-naphthyl)-2-propanyl]-1,3-dioxo-5-isoindolincarbonsäure [German] [ACD/IUPAC Name]
2-[(2R)-1-Carboxy-3-(1-naphthyl)-2-propanyl]-1,3-dioxo-5-isoindolinecarboxylic acid [ACD/IUPAC Name]
2H-Isoindole-2-propanoic acid, 5-carboxy-1,3-dihydro-β-(1-naphthalenylmethyl)-1,3-dioxo-, (βR)- [ACD/Index Name]
Acide 2-[(2R)-1-carboxy-3-(1-naphtyl)-2-propanyl]-1,3-dioxo-5-isoindolinecarboxylique [French] [ACD/IUPAC Name]
2-[(2R)-1-carboxy-3-(naphthalen-1-yl)propan-2-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-[(2R)-1-carboxy-3-(naphthalen-1-yl)propan-2-yl]-1,3-dioxoisoindole-5-carboxylic acid
WH6

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

Density: 1.5±0.1 g/cm3
Boiling Point: 699.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 377.1±31.5 °C
Index of Refraction: 1.712
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 76.8±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

Click to predict properties on the Chemicalize site


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