ChemSpider 2D Image | FMOC-LYS(DDE)-OH | C31H36N2O6

FMOC-LYS(DDE)-OH

  • Molecular FormulaC31H36N2O6
  • Average mass532.627 Da
  • Monoisotopic mass532.257324 Da
  • ChemSpider ID9093742

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

150629-67-7 [RN]
FMOC-LYS(DDE)-OH
L-Lysine, N6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- [ACD/Index Name]
N6-[1-(4,4-Dimethyl-2,6-dioxocyclohexyliden)ethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysin [German] [ACD/IUPAC Name]
N6-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine [ACD/IUPAC Name]
N6-[1-(4,4-Diméthyl-2,6-dioxocyclohexylidène)éthyl]-N2-[(9H-fluorén-9-ylméthoxy)carbonyl]-L-lysine [French] [ACD/IUPAC Name]
(2S)-6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
(2S)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid
(2S)-6-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)hexanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 750.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 407.5±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 145.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 20.39
ACD/KOC (pH 5.5): 81.55
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 122 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 435.8±3.0 cm3

Click to predict properties on the Chemicalize site


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