ChemSpider 2D Image | LYSYLTHREONYLTHREONYLLYSYLSERINE | C23H45N7O9

LYSYLTHREONYLTHREONYLLYSYLSERINE

  • Molecular FormulaC23H45N7O9
  • Average mass563.645 Da
  • Monoisotopic mass563.327881 Da
  • ChemSpider ID8135174

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

149128-48-3 [RN]
L-Lysyl-L-threonyl-L-threonyl-L-lysyl-L-serin [German] [ACD/IUPAC Name]
L-Lysyl-L-threonyl-L-threonyl-L-lysyl-L-serine [ACD/IUPAC Name]
L-Lysyl-L-thréonyl-L-thréonyl-L-lysyl-L-sérine [French] [ACD/IUPAC Name]
L-Serine, L-lysyl-L-threonyl-L-threonyl-L-lysyl- [ACD/Index Name]
LYSYLTHREONYLTHREONYLLYSYLSERINE [ACD/IUPAC Name]
(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
h-lys-thr-thr-lys-ser-oh
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL480495/
L-?lysyl-?L-?threonyl-?L-?threonyl-?L-?lysyl-L-?Serine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

69B8BD4H9G [DBID]
UNII:69B8BD4H9G [DBID]
UNII-69B8BD4H9G [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 1049.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 173.8±6.0 kJ/mol
    Flash Point: 588.3±34.3 °C
    Index of Refraction: 1.558
    Molar Refractivity: 139.6±0.3 cm3
    #H bond acceptors: 16
    #H bond donors: 14
    #Freely Rotating Bonds: 20
    #Rule of 5 Violations: 3
    ACD/LogP: -3.54
    ACD/LogD (pH 5.5): -8.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -7.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 292 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 63.2±3.0 dyne/cm
    Molar Volume: 432.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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