ChemSpider 2D Image | ebiratide | C48H73N11O10S

ebiratide

  • Molecular FormulaC48H73N11O10S
  • Average mass996.226 Da
  • Monoisotopic mass995.526245 Da
  • ChemSpider ID5293317

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

105250-86-0 [RN]
CM5J1V7AUT
ebiratida [Spanish] [INN]
ebiratide [INN]
ébiratide [French] [INN]
ebiratidum [Latin] [INN]
L-Methionyl-L-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-N-(8-aminooctyl)-L-phenylalaninamide S,S-dioxide
L-Phenylalaninamide, N-[(2S)-2-amino-4-(methylsulfonyl)-1-oxobutyl]-L-α-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-N-(8-aminooctyl)- [ACD/Index Name]
N-[(2S)-2-Amino-4-(methylsulfonyl)butanoyl]-L-α-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-N-(8-aminooctyl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Amino-4-(methylsulfonyl)butanoyl]-L-α-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-N-(8-aminooctyl)-L-phenylalaninamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6014 [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: 1406.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 224.0±3.0 kJ/mol
Flash Point: 804.3±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 264.5±0.4 cm3
#H bond acceptors: 21
#H bond donors: 14
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -4.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 361 Å2
Polarizability: 104.9±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 791.5±3.0 cm3

Click to predict properties on the Chemicalize site


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