ChemSpider 2D Image | (4S)-4-({[4-(2-Methoxyethoxy)-6-phenyl-2-pyrimidinyl]carbonyl}amino)-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid | C29H39N5O8

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

  • Molecular FormulaC29H39N5O8
  • Average mass585.649 Da
  • Monoisotopic mass585.279846 Da
  • ChemSpider ID24633143

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-({[4-(2-Methoxyethoxy)-6-phenyl-2-pyrimidinyl]carbonyl}amino)-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentanoic acid [ACD/IUPAC Name]
(4S)-4-({[4-(2-Methoxyethoxy)-6-phenyl-2-pyrimidinyl]carbonyl}amino)-5-oxo-5-{4-[(pentyloxy)carbonyl]-1-piperazinyl}pentansäure [German] [ACD/IUPAC Name]
1-Piperazinepentanoic acid, γ-[[[4-(2-methoxyethoxy)-6-phenyl-2-pyrimidinyl]carbonyl]amino]-δ-oxo-4-[(pentyloxy)carbonyl]-, (γS)- [ACD/Index Name]
Acide (4S)-4-({[4-(2-méthoxyéthoxy)-6-phényl-2-pyrimidinyl]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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.560
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 10.06
ACD/KOC (pH 5.5): 85.61
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.37
Polar Surface Area: 160 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 467.8±3.0 cm3

Click to predict properties on the Chemicalize site


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