ChemSpider 2D Image | morpholino-diphenylalanine-methoxypropylboronic acid | C30H39BN4O7

morpholino-diphenylalanine-methoxypropylboronic acid

  • Molecular FormulaC30H39BN4O7
  • Average mass578.464 Da
  • Monoisotopic mass578.291199 Da
  • ChemSpider ID4451405
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[(1R)-1-{[(1-{N-[(S)-Hydroxy(4-morpholinyl)methyl]-β-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutyl]boronic acid [ACD/IUPAC Name]
[(1R)-1-{[(1-{N-[(S)-Hydroxy(4-morpholinyl)methyl]-β-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutyl]borsäure [German] [ACD/IUPAC Name]
Acide [(1R)-1-{[(1-{N-[(S)-hydroxy(4-morpholinyl)méthyl]-β-phényl-D-phénylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-méthoxybutyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(1R)-1-[[[1-[(2R)-2-[[(S)-hydroxy-4-morpholinylmethyl]amino]-1-oxo-3,3-diphenylpropyl]-1H-pyrrol-2-yl]carbonyl]amino]-4-methoxybutyl]- [ACD/Index Name]
morpholino-diphenylalanine-methoxypropylboronic acid
T42

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 156.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 328.27
ACD/KOC (pH 5.5): 2189.68
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 333.92
ACD/KOC (pH 7.4): 2227.38
Polar Surface Area: 146 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 455.0±7.0 cm3

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