ChemSpider 2D Image | nemifitide | C33H43FN10O6

nemifitide

  • Molecular FormulaC33H43FN10O6
  • Average mass694.756 Da
  • Monoisotopic mass694.335083 Da
  • ChemSpider ID154356
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(4R)-4-Hydroxy-L-prolyl-N5-(diaminomethylen)-L-ornithylglycyl-N-[(2S)-2-amino-3-(4-fluorphenyl)propanoyl]-L-tryptophanamid [German] [ACD/IUPAC Name]
(4R)-4-Hydroxy-L-prolyl-N5-(diaminomethylene)-L-ornithylglycyl-N-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-L-tryptophanamide [ACD/IUPAC Name]
(4R)-4-Hydroxy-L-prolyl-N5-(diaminométhylène)-L-ornithylglycyl-N-[(2S)-2-amino-3-(4-fluorophényl)propanoyl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
L-Tryptophanamide, (4R)-4-hydroxy-L-prolyl-N5-(diaminomethylene)-L-ornithylglycyl-N-[(2S)-2-amino-3-(4-fluorophenyl)-1-oxopropyl]- [ACD/Index Name]
nemifitide [INN]
173240-15-8 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 176.5±0.5 cm3
#H bond acceptors: 16
#H bond donors: 13
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -5.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 65.5±7.0 dyne/cm
Molar Volume: 458.1±7.0 cm3

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