ChemSpider 2D Image | N-[(Dihydroxyboryl)methyl]-Nalpha-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-tyrosinamide | C17H23BN4O7

N-[(Dihydroxyboryl)methyl]-Nα-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-tyrosinamide

  • Molecular FormulaC17H23BN4O7
  • Average mass406.198 Da
  • Monoisotopic mass406.165985 Da
  • ChemSpider ID25057222

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Boronic acid, B-[[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]methyl]- [ACD/Index Name]
N-[(dihydroxyboranyl)methyl]-nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide
N-[(Dihydroxyboryl)methyl]-Nα-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-tyrosinamid [German] [ACD/IUPAC Name]
N-[(Dihydroxyboryl)methyl]-Nα-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-tyrosinamide [ACD/IUPAC Name]
N-[(Dihydroxyboryl)méthyl]-Nα-[(4-éthyl-2,3-dioxo-1-pipérazinyl)carbonyl]-D-tyrosinamide [French] [ACD/IUPAC Name]

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: 1.590
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.17
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.51
Polar Surface Area: 160 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 291.1±3.0 cm3

Click to predict properties on the Chemicalize site


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