ChemSpider 2D Image | LYSYL ASPARTYL ISOLEUCINE | C16H30N4O6

LYSYL ASPARTYL ISOLEUCINE

  • Molecular FormulaC16H30N4O6
  • Average mass374.433 Da
  • Monoisotopic mass374.216522 Da
  • ChemSpider ID34988392

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

515835-71-9 [RN]
L-Isoleucine, L-lysyl-L-α-aspartyl- [ACD/Index Name]
L-Lysyl-L-α-asparagyl-L-isoleucin [German] [ACD/IUPAC Name]
L-Lysyl-L-α-aspartyl-L-isoleucine [ACD/IUPAC Name]
L-Lysyl-L-α-aspartyl-L-isoleucine [French] [ACD/IUPAC Name]
LYSYL ASPARTYL ISOLEUCINE
(2S,3S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-3-methylpentanoic acid

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

9728ZM927T [DBID]
UNII:9728ZM927T [DBID]
UNII-9728ZM927T [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.7±6.0 kJ/mol
Flash Point: 398.3±32.9 °C
Index of Refraction: 1.530
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -3.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 302.6±3.0 cm3

Click to predict properties on the Chemicalize site


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