ChemSpider 2D Image | N-(4-Bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide | C30H31BrF2IN4O7P

N-(4-Bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N5-(3-iodobenzoyl)-L-ornithinamide

  • Molecular FormulaC30H31BrF2IN4O7P
  • Average mass835.369 Da
  • Monoisotopic mass834.012634 Da
  • ChemSpider ID35035685

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Ornithinamide, N-(4-bromo-3-methylbenzoyl)-4-(difluorophosphonomethyl)-L-phenylalanyl-N5-(3-iodobenzoyl)- [ACD/Index Name]
N-(4-Brom-3-methylbenzoyl)-4-[difluor(phosphono)methyl]-L-phenylalanyl-N5-(3-iodbenzoyl)-L-ornithinamid [German] [ACD/IUPAC Name]
N-(4-Bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N5-(3-iodobenzoyl)-L-ornithinamide [ACD/IUPAC Name]
N-(4-Bromo-3-méthylbenzoyl)-4-[difluoro(phosphono)méthyl]-L-phénylalanyl-N5-(3-iodobenzoyl)-L-ornithinamide [French] [ACD/IUPAC Name]
A89

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 177.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.80
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 500.0±3.0 cm3

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