ChemSpider 2D Image | BX 048 | C27H34N4O9

BX 048

  • Molecular FormulaC27H34N4O9
  • Average mass558.580 Da
  • Monoisotopic mass558.232605 Da
  • ChemSpider ID11222885

More details:

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

1-Piperazinepentanoic acid, γ-[[[4-(1-carboxy-1-methylethoxy)-7-methyl-2-quinolinyl]carbonyl]amino]-4-(ethoxycarbonyl)-δ-oxo- [ACD/Index Name]
4-[({4-[(2-Carboxy-2-propanyl)oxy]-7-methyl-2-chinolinyl}carbonyl)amino]-5-[4-(ethoxycarbonyl)-1-piperazinyl]-5-oxopentansäure [German] [ACD/IUPAC Name]
4-[({4-[(2-Carboxy-2-propanyl)oxy]-7-methyl-2-quinolinyl}carbonyl)amino]-5-[4-(ethoxycarbonyl)-1-piperazinyl]-5-oxopentanoic acid [ACD/IUPAC Name]
Acide 4-[({4-[(2-carboxy-2-propanyl)oxy]-7-méthyl-2-quinoléinyl}carbonyl)amino]-5-[4-(éthoxycarbonyl)-1-pipérazinyl]-5-oxopentanoïque [French] [ACD/IUPAC Name]
BX 048
5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid
937395-09-0 [RN]
BX048
BX-048
BX-048|BX048

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

Density: 1.3±0.1 g/cm3
Boiling Point: 815.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 447.2±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 415.0±3.0 cm3

Click to predict properties on the Chemicalize site


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