ChemSpider 2D Image | N~2~-{3-[(2R,3R)-3-Methoxy-1-(L-valyl-L-alpha-glutamyl)-2-piperidinyl]propanoyl}-L-lysine | C25H45N5O8

N2-{3-[(2R,3R)-3-Methoxy-1-(L-valyl-L-α-glutamyl)-2-piperidinyl]propanoyl}-L-lysine

  • Molecular FormulaC25H45N5O8
  • Average mass543.654 Da
  • Monoisotopic mass543.326843 Da
  • ChemSpider ID79741508

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Lysine, N2-[3-[(2R,3R)-1-[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]-3-methoxy-2-piperidinyl]-1-oxopropyl]- [ACD/Index Name]
N2-{3-[(2R,3R)-3-Methoxy-1-(L-valyl-L-α-glutamyl)-2-piperidinyl]propanoyl}-L-lysin [German] [ACD/IUPAC Name]
N2-{3-[(2R,3R)-3-Methoxy-1-(L-valyl-L-α-glutamyl)-2-piperidinyl]propanoyl}-L-lysine [ACD/IUPAC Name]
N2-{3-[(2R,3R)-3-Méthoxy-1-(L-valyl-L-α-glutamyl)-2-pipéridinyl]propanoyl}-L-lysine [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: 867.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.8±6.0 kJ/mol
Flash Point: 478.5±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 436.3±5.0 cm3

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