ChemSpider 2D Image | phenylmethylenecarboxy-(methyleneamino-formyl-diphenylmethyl)methy-pro-boroval | C32H34BN3O6

phenylmethylenecarboxy-(methyleneamino-formyl-diphenylmethyl)methy-pro-boroval

  • Molecular FormulaC32H34BN3O6
  • Average mass567.440 Da
  • Monoisotopic mass567.254089 Da
  • ChemSpider ID4451402

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R)-1-{[(1-{N-[(Benzyloxy)carbonyl]-β-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-2-methylpropyl]boronic acid [ACD/IUPAC Name]
[(1R)-1-{[(1-{N-[(Benzyloxy)carbonyl]-β-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-2-methylpropyl]borsäure [German] [ACD/IUPAC Name]
Acide [(1R)-1-{[(1-{N-[(benzyloxy)carbonyl]-β-phényl-D-phénylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-2-méthylpropyl]boronique [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-2-[2-[[[(1R)-1-borono-2-methylpropyl]amino]carbonyl]-1H-pyrrol-1-yl]-1-(diphenylmethyl)-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]
phenylmethylenecarboxy-(methyleneamino-formyl-diphenylmethyl)methy-pro-boroval
T19

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 160.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5776.23
ACD/KOC (pH 5.5): 17146.22
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5745.15
ACD/KOC (pH 7.4): 17053.98
Polar Surface Area: 130 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 469.0±7.0 cm3

Click to predict properties on the Chemicalize site


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