ChemSpider 2D Image | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE | C30H35N3O9P2

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

  • Molecular FormulaC30H35N3O9P2
  • Average mass643.561 Da
  • Monoisotopic mass643.184875 Da
  • ChemSpider ID394589

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE
Nα-Acetyl-N-[(3S)-1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]-3,4-diphosphono-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-Acetyl-N-[(3S)-1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]-3,4-diphosphono-L-phenylalaninamide [ACD/IUPAC Name]
Nα-Acétyl-N-[(3S)-1-(4-biphénylylméthyl)-2-oxo-3-azépanyl]-3,4-diphosphono-L-phénylalaninamide [French] [ACD/IUPAC Name]
Phosphonic acid, [4-[(2S)-2-(acetylamino)-3-[[(3S)-1-([1,1'-biphenyl]-4-ylmethyl)hexahydro-2-oxo-1H-azepin-3-yl]amino]-3-oxopropyl]-1,2-phenylene]bis- [ACD/Index Name]
6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE
6NP
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL319516/
RU83876

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

876 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 79.0±5.0 dyne/cm
Molar Volume: 436.8±5.0 cm3

Click to predict properties on the Chemicalize site


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