ChemSpider 2D Image | (4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}-4-[({4-phenyl-6-[(3-pyrrolidinylmethyl)amino]-2-pyrimidinyl}carbonyl)amino]pentanoic acid | C31H43N7O6

(4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}-4-[({4-phenyl-6-[(3-pyrrolidinylmethyl)amino]-2-pyrimidinyl}carbonyl)amino]pentanoic acid

  • Molecular FormulaC31H43N7O6
  • Average mass609.716 Da
  • Monoisotopic mass609.327454 Da
  • ChemSpider ID24628406

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}-4-[({4-phenyl-6-[(3-pyrrolidinylmethyl)amino]-2-pyrimidinyl}carbonyl)amino]pentanoic acid [ACD/IUPAC Name]
(4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}-4-[({4-phenyl-6-[(3-pyrrolidinylmethyl)amino]-2-pyrimidinyl}carbonyl)amino]pentansäure [German] [ACD/IUPAC Name]
1-Piperazinepentanoic acid, δ-oxo-4-[(pentyloxy)carbonyl]-γ-[[[4-phenyl-6-[(3-pyrrolidinylmethyl)amino]-2-pyrimidinyl]carbonyl]amino]-, (γS)- [ACD/Index Name]
Acide (4S)-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-pipérazinyl}-4-[({4-phényl-6-[(3-pyrrolidinylméthyl)amino]-2-pyrimidinyl}carbonyl)amino]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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 163.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.28
Polar Surface Area: 166 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 484.7±3.0 cm3

Click to predict properties on the Chemicalize site


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