ChemSpider 2D Image | Benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate | C32H43N3O8

Benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N6-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate

  • Molecular FormulaC32H43N3O8
  • Average mass597.699 Da
  • Monoisotopic mass597.304993 Da
  • ChemSpider ID26326766

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N6-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate [ACD/IUPAC Name]
Benzyl-N-[(benzyloxy)carbonyl]-L-alanyl-N6-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinat [German] [ACD/IUPAC Name]
L-Lysine, N-[(phenylmethoxy)carbonyl]-L-alanyl-N6-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methyl-1-oxohexyl]-, phenylmethyl ester [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-N6-[(2R,3S,4S)-3-formyl-2-hydroxy-4-méthylhexanoyl]-L-lysinate de benzyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 822.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.0±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 159.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.86
ACD/KOC (pH 5.5): 1315.35
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.80
ACD/KOC (pH 7.4): 1314.87
Polar Surface Area: 160 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 504.4±3.0 cm3

Click to predict properties on the Chemicalize site


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