ChemSpider 2D Image | Pam2CSK4 | C65H126N10O12S

Pam2CSK4

  • Molecular FormulaC65H126N10O12S
  • Average mass1271.821 Da
  • Monoisotopic mass1270.927734 Da
  • ChemSpider ID8164606
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

Pam2CSK4
S-[2,3-Bis(palmitoyloxy)propyl]-L-cysteinyl-L-seryl-L-lysyl-L-lysyl-L-lysyl-L-lysin [German] [ACD/IUPAC Name]
S-[2,3-Bis(palmitoyloxy)propyl]-L-cystéinyl-L-séryl-L-lysyl-L-lysyl-L-lysyl-L-lysine [French] [ACD/IUPAC Name]
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
574741-81-4 [RN]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46889
L-lysine, S-[2,3-bis[(1-oxohexadecyl)oxy]propyl]-L-cysteinyl-L-seryl-L-lysyl-L-lysyl-L-lysyl- [ACD/Index Name]
S-[2,3-bis(hexadecanoyloxy)propyl]-L-cysteinyl-L-seryl-L-lysyl-L-lysyl-L-lysyl-L-lysine
S-[2,3-bis(palmitoyloxy)-(2RS)-propyl]-[R]-cysteinyl-[S]-seryl-[S]-lysyl-[S]-lysyl-[S]-lysyl-[S]-lysine
S-[2,3-bis(palmitoyloxy)propyl]-Cys-Ser-Lys-Lys-Lys-Lys
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 1302.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 220.3±6.0 kJ/mol
Flash Point: 741.7±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 353.3±0.3 cm3
#H bond acceptors: 22
#H bond donors: 17
#Freely Rotating Bonds: 65
#Rule of 5 Violations: 4
ACD/LogP: 12.33
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 12.97
ACD/KOC (pH 5.5): 3.71
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 62.77
ACD/KOC (pH 7.4): 17.97
Polar Surface Area: 411 Å2
Polarizability: 140.1±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 1165.2±3.0 cm3

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