ChemSpider 2D Image | (4S)-4-Acetamido-5-[(3S,4R)-4-hydroxy-2-isobutyl-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undec-9-yl]-5-oxopentanoic acid | C26H37N3O6

(4S)-4-Acetamido-5-[(3S,4R)-4-hydroxy-2-isobutyl-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undec-9-yl]-5-oxopentanoic acid

  • Molecular FormulaC26H37N3O6
  • Average mass487.589 Da
  • Monoisotopic mass487.268250 Da
  • ChemSpider ID68650451

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-4-Acetamido-5-[(3S,4R)-4-hydroxy-2-isobutyl-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undec-9-yl]-5-oxopentanoic acid [ACD/IUPAC Name]
(4S)-4-Acetamido-5-[(3S,4R)-4-hydroxy-2-isobutyl-1-oxo-3-phenyl-2,9-diazaspiro[5.5]undec-9-yl]-5-oxopentansäure [German] [ACD/IUPAC Name]
2,9-Diazaspiro[5.5]undecane-9-pentanoic acid, γ-(acetylamino)-4-hydroxy-2-(2-methylpropyl)-δ,1-dioxo-3-phenyl-, (γS,3S,4R)- [ACD/Index Name]
Acide (4S)-4-acétamido-5-[(3S,4R)-4-hydroxy-2-isobutyl-1-oxo-3-phényl-2,9-diazaspiro[5.5]undéc-9-yl]-5-oxopentanoïque [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: 805.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 440.7±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.25
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 383.8±5.0 cm3

Click to predict properties on the Chemicalize site


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