ChemSpider 2D Image | 4-[(N-{[(6-Oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}norvalyl)amino]butanoic acid | C24H30N2O7

4-[(N-{[(6-Oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}norvalyl)amino]butanoic acid

  • Molecular FormulaC24H30N2O7
  • Average mass458.504 Da
  • Monoisotopic mass458.205292 Da
  • ChemSpider ID21750175

More details:

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

4-[(N-{[(6-Oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}norvalyl)amino]butanoic acid [ACD/IUPAC Name]
4-[(N-{[(6-Oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}norvalyl)amino]butansäure [German] [ACD/IUPAC Name]
Acide 4-[(N-{2-[(6-oxo-7,8,9,10-tétrahydro-6H-benzo[c]chromén-3-yl)oxy]acétyl}norvalyl)amino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[1-oxo-2-[[2-[(7,8,9,10-tetrahydro-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl]amino]pentyl]amino]- [ACD/Index Name]
4-(2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanamido)butanoic acid
4-{2-[2-(6-Oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yloxy)-acetylamino]-pentanoylamino}-butyric acid
4-{2-[2-(6-oxo-7,8,9,10-tetrahydrobenzo[1,2-c]chromen-3-yloxy)acetylamino]pentanoylamino}butanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 824.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 452.3±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 118.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 7.67
ACD/KOC (pH 5.5): 79.54
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 131 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 351.1±5.0 cm3

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