Found 1 result

Search term: NMJRWIHVPCKZOY-IKOGTUNBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Cyclo[L-alpha-aspartyl-L-prolyl-D-valyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl] | C33H44N6O9

Cyclo[L-α-aspartyl-L-prolyl-D-valyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl]

  • Molecular FormulaC33H44N6O9
  • Average mass668.737 Da
  • Monoisotopic mass668.316956 Da
  • ChemSpider ID28476940

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Cyclo[L-α-asparagyl-L-prolyl-D-valyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl] [German] [ACD/IUPAC Name]
Cyclo[L-α-aspartyl-L-prolyl-D-valyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo[L-α-aspartyl-L-prolyl-D-valyl-L-leucyl-1-(méthoxycarbonyl)-D-tryptophyl] [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 171.8±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 469.2±7.0 cm3

Click to predict properties on the Chemicalize site


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