ChemSpider 2D Image | N-[(1R)-1-{(4R,5R)-4,5-Bis[(1R)-1,2-dihydroxyethyl]-1,3,2-dioxaborolan-2-yl}-3-methylbutyl]-Nalpha-(2-pyrazinylcarbonyl)-L-phenylalaninamide | C25H35BN4O8

N-[(1R)-1-{(4R,5R)-4,5-Bis[(1R)-1,2-dihydroxyethyl]-1,3,2-dioxaborolan-2-yl}-3-methylbutyl]-Nα-(2-pyrazinylcarbonyl)-L-phenylalaninamide

  • Molecular FormulaC25H35BN4O8
  • Average mass530.378 Da
  • Monoisotopic mass530.254822 Da
  • ChemSpider ID64854571

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-Pyrazinecarboxamide, N-[(1S)-2-[[(1R)-1-[(4R,5R)-4,5-bis[(1R)-1,2-dihydroxyethyl]-1,3,2-dioxaborolan-2-yl]-3-methylbutyl]amino]-2-oxo-1-(phenylmethyl)ethyl]- [ACD/Index Name]
444576-08-3 [RN]
N-[(1R)-1-{(4R,5R)-4,5-Bis[(1R)-1,2-dihydroxyethyl]-1,3,2-dioxaborolan-2-yl}-3-methylbutyl]-Nα-(2-pyrazinylcarbonyl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(1R)-1-{(4R,5R)-4,5-Bis[(1R)-1,2-dihydroxyethyl]-1,3,2-dioxaborolan-2-yl}-3-methylbutyl]-Nα-(2-pyrazinylcarbonyl)-L-phenylalaninamide [ACD/IUPAC Name]
N-[(1R)-1-{(4R,5R)-4,5-Bis[(1R)-1,2-dihydroxyéthyl]-1,3,2-dioxaborolan-2-yl}-3-méthylbutyl]-Nα-(2-pyrazinylcarbonyl)-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

P2AWN9VSQ6 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 876.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 483.9±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 183 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 397.2±5.0 cm3

Click to predict properties on the Chemicalize site


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