ChemSpider 2D Image | 1-[(4S)-4-{[(Benzyloxy)carbonyl]amino}-4-carboxybutanoyl]-2-indolinecarboxylic acid | C22H22N2O7

1-[(4S)-4-{[(Benzyloxy)carbonyl]amino}-4-carboxybutanoyl]-2-indolinecarboxylic acid

  • Molecular FormulaC22H22N2O7
  • Average mass426.419 Da
  • Monoisotopic mass426.142700 Da
  • ChemSpider ID25039310

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-[(4S)-4-{[(Benzyloxy)carbonyl]amino}-4-carboxybutanoyl]-2-indolincarbonsäure [German] [ACD/IUPAC Name]
1-[(4S)-4-{[(Benzyloxy)carbonyl]amino}-4-carboxybutanoyl]-2-indolinecarboxylic acid [ACD/IUPAC Name]
Acide 1-[(4S)-4-{[(benzyloxy)carbonyl]amino}-4-carboxybutanoyl]-2-indolinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 430.2±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 303.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement