ChemSpider 2D Image | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE | C31H34N3O8P

N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE

  • Molecular FormulaC31H34N3O8P
  • Average mass607.591 Da
  • Monoisotopic mass607.208374 Da
  • ChemSpider ID4449899

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenepropanamide, α-(acetylamino)-N-[(3S)-1-([1,1'-biphenyl]-4-ylmethyl)hexahydro-2-oxo-1H-azepin-3-yl]-3-formyl-4-(phosphonooxy)-, (αS)- [ACD/Index Name]
N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE
Nα-Acetyl-N-[(3S)-1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]-3-formyl-O-phosphono-L-tyrosinamid [German] [ACD/IUPAC Name]
Nα-Acetyl-N-[(3S)-1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]-3-formyl-O-phosphono-L-tyrosinamide [ACD/IUPAC Name]
Nα-Acétyl-N-[(3S)-1-(4-biphénylylméthyl)-2-oxo-3-azépanyl]-3-formyl-O-phosphono-L-tyrosinamide [French] [ACD/IUPAC Name]
RU84687

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: 1.643
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 436.1±5.0 cm3

Click to predict properties on the Chemicalize site


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