ChemSpider 2D Image | Benzyl N-[(2-naphthylmethoxy)carbonyl]-L-alanyl-N~5~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate | C35H43N3O8

Benzyl N-[(2-naphthylmethoxy)carbonyl]-L-alanyl-N5-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate

  • Molecular FormulaC35H43N3O8
  • Average mass633.731 Da
  • Monoisotopic mass633.304993 Da
  • ChemSpider ID26327324

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzyl N-[(2-naphthylmethoxy)carbonyl]-L-alanyl-N5-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate [ACD/IUPAC Name]
Benzyl N-[(Naphthalen-2-Ylmethoxy)carbonyl]-L-Alanyl-N5-[(2r,3s,4s)-3-Formyl-2-Hydroxy-4-Methylhexanoyl]-L-Ornithinate
Benzyl-N-[(2-naphthylmethoxy)carbonyl]-L-alanyl-N5-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinat [German] [ACD/IUPAC Name]
L-Ornithine, N-[(2-naphthalenylmethoxy)carbonyl]-L-alanyl-N5-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methyl-1-oxohexyl]-, phenylmethyl ester [ACD/Index Name]
N-[(2-Naphtylméthoxy)carbonyl]-L-alanyl-N5-[(2R,3S,4S)-3-formyl-2-hydroxy-4-méthylhexanoyl]-L-ornithinate 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: 873.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.0±3.0 kJ/mol
Flash Point: 482.1±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 172.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1031.49
ACD/KOC (pH 5.5): 4996.16
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1030.83
ACD/KOC (pH 7.4): 4992.96
Polar Surface Area: 160 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 522.0±3.0 cm3

Click to predict properties on the Chemicalize site


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