Found 1 result

Search term: QLDVOCPEKYLEOT-XGUBFFRZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N~6~-{[(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethoxy]carbonyl}-L-lysine | C17H26N2O4

N6-{[(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethoxy]carbonyl}-L-lysine

  • Molecular FormulaC17H26N2O4
  • Average mass322.399 Da
  • Monoisotopic mass322.189270 Da
  • ChemSpider ID64888178

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Lysine, N6-[[(1R,8S)-bicyclo[6.1.0]non-4-yn-9-ylmethoxy]carbonyl]- [ACD/Index Name]
N6-{[(1R,8S,9s)-Bicyclo[6.1.0]non-4-in-9-ylmethoxy]carbonyl}-L-lysin [German] [ACD/IUPAC Name]
N6-{[(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethoxy]carbonyl}-L-lysine [ACD/IUPAC Name]
N6-{[(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylméthoxy]carbonyl}-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: 533.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 276.2±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 85.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 265.6±5.0 cm3

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