ChemSpider 2D Image | BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA | C26H41BN4O10

BOC-γ-D-GLU-L-LYS(CBZ)-D-BOROALA

  • Molecular FormulaC26H41BN4O10
  • Average mass580.435 Da
  • Monoisotopic mass580.291565 Da
  • ChemSpider ID4450121

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

BOC-γ-D-GLU-L-LYS(CBZ)-D-BOROALA
L-Lysinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-γ-glutamyl-N-[(1S)-1-boronoethyl]-N6-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-γ-glutamyl-N6-[(benzyloxy)carbonyl]-N-[(1S)-1-(dihydroxyboryl)ethyl]-L-lysinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-γ-glutamyl-N6-[(benzyloxy)carbonyl]-N-[(1S)-1-(dihydroxyboryl)ethyl]-L-lysinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-γ-glutamyl-N6-[(benzyloxy)carbonyl]-N-[(1S)-1-(dihydroxyboryl)éthyl]-L-lysinamide [French] [ACD/IUPAC Name]
(2S)-4-{[(1S)-5-{[(benzyloxy)carbonyl]amino}-1-{[(1S)-1-(dihydroxyboranyl)ethyl]carbamoyl}pentyl]carbamoyl}-2-[(tert-butoxycarbonyl)amino]butanoic acid
(2S)-4-{[(1S)-5-{[(benzyloxy)carbonyl]amino}-1-{[(1S)-1-(dihydroxyboranyl)ethyl]carbamoyl}pentyl]carbamoyl}-2-{[(tert-butoxy)carbonyl]amino}butanoic acid
BO9
N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-γ-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE

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: 1.531
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.52
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 468.6±3.0 cm3

Click to predict properties on the Chemicalize site


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