ChemSpider 2D Image | N-[(2R,4R,5aR,9cR)-5a-Hydroxy-2-isopropyl-1,3-dioxo-1,2,4,5,5a,9c-hexahydro-3H-2a,9b-diazacyclopenta[jk]fluoren-4-yl]-D-leucinamide | C22H30N4O4

N-[(2R,4R,5aR,9cR)-5a-Hydroxy-2-isopropyl-1,3-dioxo-1,2,4,5,5a,9c-hexahydro-3H-2a,9b-diazacyclopenta[jk]fluoren-4-yl]-D-leucinamide

  • Molecular FormulaC22H30N4O4
  • Average mass414.498 Da
  • Monoisotopic mass414.226715 Da
  • ChemSpider ID44210780

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(2R,4R,5aR,9cR)-5a-Hydroxy-2-isopropyl-1,3-dioxo-1,2,4,5,5a,9c-hexahydro-3H-2a,9b-diazacyclopenta[jk]fluoren-4-yl]-D-leucinamid [German] [ACD/IUPAC Name]
N-[(2R,4R,5aR,9cR)-5a-Hydroxy-2-isopropyl-1,3-dioxo-1,2,4,5,5a,9c-hexahydro-3H-2a,9b-diazacyclopenta[jk]fluoren-4-yl]-D-leucinamide [ACD/IUPAC Name]
N-[(2R,4R,5aR,9cR)-5a-Hydroxy-2-isopropyl-1,3-dioxo-1,2,4,5,5a,9c-hexahydro-3H-2a,9b-diazacyclopenta[jk]fluorén-4-yl]-D-leucinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-amino-N-[(2R,4R,5aR,9cR)-1,2,4,5,5a,9c-hexahydro-5a-hydroxy-2-(1-methylethyl)-1,3-dioxo-3H-2a,9b-diazacyclopenta[jk]fluoren-4-yl]-4-methyl-, (2R)- [ACD/Index 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: 698.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 376.0±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.72
Polar Surface Area: 116 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 310.8±5.0 cm3

Click to predict properties on the Chemicalize site


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