ChemSpider 2D Image | (2R)-6-Bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | C24H23BrN2O5

(2R)-6-Bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

  • Molecular FormulaC24H23BrN2O5
  • Average mass499.354 Da
  • Monoisotopic mass498.079041 Da
  • ChemSpider ID35034956
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-6-Brom-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-carbonsäure [German] [ACD/IUPAC Name]
(2R)-6-Bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid [ACD/IUPAC Name]
1H-Carbazole-2-carboxylic acid, 6-bromo-9-[2-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-oxoethyl]-2,3,4,9-tetrahydro-, (2R)- [ACD/Index Name]
Acide (2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phényléthyl]amino}-2-oxoéthyl)-2,3,4,9-tétrahydro-1H-carbazole-2-carboxylique [French] [ACD/IUPAC Name]
2VD

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 799.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 437.5±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 121.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.51
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 319.0±7.0 cm3

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