ChemSpider 2D Image | alpha-Tosyl-L-lysylchloromethyl ketone | C29H40Cl2N4O7S2

α-Tosyl-L-lysylchloromethyl ketone

  • Molecular FormulaC29H40Cl2N4O7S2
  • Average mass691.687 Da
  • Monoisotopic mass690.171570 Da
  • ChemSpider ID19970437

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Benzenesulfonamide, N,N'-[(1S,7S)-1,7-bis(4-aminobutyl)-3,5-dichloro-2,4,6-trioxo-1,7-heptanediyl]bis[4-methyl- [ACD/Index Name]
N,N'-[(5S,11S)-1,15-Diamino-7,9-dichlor-6,8,10-trioxo-5,11-pentadecandiyl]bis(4-methylbenzolsulfonamid) [German] [ACD/IUPAC Name]
N,N'-[(5S,11S)-1,15-Diamino-7,9-dichloro-6,8,10-trioxo-5,11-pentadecanediyl]bis(4-methylbenzenesulfonamide) [ACD/IUPAC Name]
N,N'-[(5S,11S)-1,15-Diamino-7,9-dichloro-6,8,10-trioxo-5,11-pentadécanediyl]bis(4-méthylbenzènesulfonamide) [French] [ACD/IUPAC Name]
α-Tosyl-L-lysylchloromethyl ketone
tosyl-lysyl-chloromethyl ketone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 835.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 459.1±37.1 °C
Index of Refraction: 1.575
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 8.98
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 3.06
ACD/KOC (pH 5.5): 7.84
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 11.04
Polar Surface Area: 212 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 521.6±3.0 cm3

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