ChemSpider 2D Image | 4-[({4-[4-(2-Hydroxyethyl)-1-piperazinyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid | C33H46N6O7

4-[({4-[4-(2-Hydroxyethyl)-1-piperazinyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid

  • Molecular FormulaC33H46N6O7
  • Average mass638.754 Da
  • Monoisotopic mass638.342773 Da
  • ChemSpider ID24645166

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinepentanoic acid, γ-[[[4-[4-(2-hydroxyethyl)-1-piperazinyl]-6-phenyl-2-pyridinyl]carbonyl]amino]-δ-oxo-4-[(pentyloxy)carbonyl]- [ACD/Index Name]
4-[({4-[4-(2-Hydroxyethyl)-1-piperazinyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid [ACD/IUPAC Name]
4-[({4-[4-(2-Hydroxyethyl)-1-piperazinyl]-6-phenyl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentansäure [German] [ACD/IUPAC Name]
Acide 4-[({4-[4-(2-hydroxyéthyl)-1-pipérazinyl]-6-phényl-2-pyridinyl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-pipérazinyl}pentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 878.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.7±3.0 kJ/mol
Flash Point: 485.0±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 170.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 509.6±3.0 cm3

Click to predict properties on the Chemicalize site


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