ChemSpider 2D Image | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE | C35H51N5O5

1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE

  • Molecular FormulaC35H51N5O5
  • Average mass621.810 Da
  • Monoisotopic mass621.389038 Da
  • ChemSpider ID395880

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-N-(2-methyl-2-propanyl)-4-[3-(3-pyridinyl)propanoyl]-2-piperazincarboxamid [German] [ACD/IUPAC Name]
(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-N-(2-methyl-2-propanyl)-4-[3-(3-pyridinyl)propanoyl]-2-piperazinecarboxamide [ACD/IUPAC Name]
(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-méthylcyclopentyl]amino}-5-oxopentyl]-N-(2-méthyl-2-propanyl)-4-[3-(3-pyridinyl)propanoyl]-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE
1IN
L-738,317

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

Density: 1.2±0.1 g/cm3
Boiling Point: 890.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 492.5±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 174.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 25.98
ACD/KOC (pH 5.5): 295.12
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.72
ACD/KOC (pH 7.4): 576.16
Polar Surface Area: 135 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 511.0±5.0 cm3

Click to predict properties on the Chemicalize site


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