ChemSpider 2D Image | N-(4-Bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide | C42H45BrF2IN6O11P

N-(4-Bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N5-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide

  • Molecular FormulaC42H45BrF2IN6O11P
  • Average mass1085.619 Da
  • Monoisotopic mass1084.108032 Da
  • ChemSpider ID35035720

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Alaninamide, N-(4-bromo-3-methylbenzoyl)-4-(difluorophosphonomethyl)-L-phenylalanyl-N5-(3-iodobenzoyl)-L-ornithyl-3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]- [ACD/Index Name]
N-(4-Brom-3-methylbenzoyl)-4-[difluor(phosphono)methyl]-L-phenylalanyl-N5-(3-iodbenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamid [German] [ACD/IUPAC Name]
N-(4-Bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N5-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide [ACD/IUPAC Name]
N-(4-Bromo-3-méthylbenzoyl)-4-[difluoro(phosphono)méthyl]-L-phénylalanyl-N5-(3-iodobenzoyl)-L-ornithyl-3-{[2-(4-hydroxy-3-méthoxyphényl)acétyl]amino}-D-alaninamide [French] [ACD/IUPAC Name]
B26

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 240.7±0.3 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.27
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability: 95.4±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 677.9±3.0 cm3

Click to predict properties on the Chemicalize site


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