ChemSpider 2D Image | N-[(3S)-3-Acetamido-5-carboxy-1-penten-2-yl]-L-alpha-glutamyl-L-methionyl-L-glutaminyl-L-arginyl-L-argininamide | C35H62N14O11S

N-[(3S)-3-Acetamido-5-carboxy-1-penten-2-yl]-L-α-glutamyl-L-methionyl-L-glutaminyl-L-arginyl-L-argininamide

  • Molecular FormulaC35H62N14O11S
  • Average mass887.019 Da
  • Monoisotopic mass886.444336 Da
  • ChemSpider ID32700146
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

616204-22-9 [RN]
L-Argininamide, N-[(2S)-2-(acetylamino)-4-carboxy-1-methylenebutyl]-L-α-glutamyl-L-methionyl-L-glutaminyl-L-arginyl- [ACD/Index Name]
N-[(3S)-3-Acetamido-5-carboxy-1-penten-2-yl]-L-α-glutamyl-L-methionyl-L-glutaminyl-L-arginyl-L-argininamid [German] [ACD/IUPAC Name]
N-[(3S)-3-Acetamido-5-carboxy-1-penten-2-yl]-L-α-glutamyl-L-methionyl-L-glutaminyl-L-arginyl-L-argininamide [ACD/IUPAC Name]
N-[(3S)-3-Acétamido-5-carboxy-1-pentén-2-yl]-L-α-glutamyl-L-méthionyl-L-glutaminyl-L-arginyl-L-argininamide [French] [ACD/IUPAC Name]
Acetyl hexapeptide-3
ACETYL HEXAPEPTIDE-8
Argireline

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

L4EL31FWIL [DBID]
UNII:L4EL31FWIL [DBID]
UNII-L4EL31FWIL [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 216.4±0.5 cm3
#H bond acceptors: 25
#H bond donors: 20
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: -5.39
ACD/LogD (pH 5.5): -7.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 467 Å2
Polarizability: 85.8±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 593.9±7.0 cm3

Click to predict properties on the Chemicalize site






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