ChemSpider 2D Image | Cyclo(D-arginylglycyl-D-alpha-aspartyl-D-phenylalanyl-N~6~-{3-[(9-cyano-8-oxo-8H-acenaphtho[1,2-b]pyrrol-3-yl)sulfanyl]propanoyl}-D-lysyl) | C45H49N11O9S

Cyclo(D-arginylglycyl-D-α-aspartyl-D-phenylalanyl-N6-{3-[(9-cyano-8-oxo-8H-acenaphtho[1,2-b]pyrrol-3-yl)sulfanyl]propanoyl}-D-lysyl)

  • Molecular FormulaC45H49N11O9S
  • Average mass920.004 Da
  • Monoisotopic mass919.343567 Da
  • ChemSpider ID24593909

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Cyclo(D-arginylglycyl-D-α-asparagyl-D-phenylalanyl-N6-{3-[(9-cyan-8-oxo-8H-acenaphtho[1,2-b]pyrrol-3-yl)sulfanyl]propanoyl}-D-lysyl) [German] [ACD/IUPAC Name]
Cyclo(D-arginylglycyl-D-α-aspartyl-D-phenylalanyl-N6-{3-[(9-cyano-8-oxo-8H-acenaphtho[1,2-b]pyrrol-3-yl)sulfanyl]propanoyl}-D-lysyl) [ACD/IUPAC Name]
Cyclo(D-arginylglycyl-D-α-aspartyl-D-phénylalanyl-N6-{3-[(9-cyano-8-oxo-8H-acénaphto[1,2-b]pyrrol-3-yl)sulfanyl]propanoyl}-D-lysyl) [French] [ACD/IUPAC Name]
Cyclo[D-arginylglycyl-D-α-aspartyl-D-phenylalanyl-N6-[3-[(9-cyano-8-oxo-8H-acenaphtho[1,2-b]pyrrol-3-yl)thio]-1-oxopropyl]-D-lysyl] [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 240.3±0.5 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -3.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 352 Å2
Polarizability: 95.3±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 600.9±7.0 cm3

Click to predict properties on the Chemicalize site


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