ChemSpider 2D Image | N~2~-{[(3S,11S,16aS)-11-Amino-1,6,12-trioxohexadecahydropyrrolo[1,2-a][1,4,9]triazacyclotetradecin-3-yl]carbonyl}-L-arginine | C21H36N8O6

N2-{[(3S,11S,16aS)-11-Amino-1,6,12-trioxohexadecahydropyrrolo[1,2-a][1,4,9]triazacyclotetradecin-3-yl]carbonyl}-L-arginine

  • Molecular FormulaC21H36N8O6
  • Average mass496.560 Da
  • Monoisotopic mass496.275787 Da
  • ChemSpider ID76818863

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Arginine, N2-[[(3S,11S,16aS)-11-aminohexadecahydro-1,6,12-trioxopyrrolo[1,2-a][1,4,9]triazacyclotetradecin-3-yl]carbonyl]- [ACD/Index Name]
N2-{[(3S,11S,16aS)-11-Amino-1,6,12-trioxohexadecahydropyrrolo[1,2-a][1,4,9]triazacyclotetradecin-3-yl]carbonyl}-L-arginin [German] [ACD/IUPAC Name]
N2-{[(3S,11S,16aS)-11-Amino-1,6,12-trioxohexadecahydropyrrolo[1,2-a][1,4,9]triazacyclotetradecin-3-yl]carbonyl}-L-arginine [ACD/IUPAC Name]
N2-{[(3S,11S,16aS)-11-Amino-1,6,12-trioxohexadécahydropyrrolo[1,2-a][1,4,9]triazacyclotétradécin-3-yl]carbonyl}-L-arginine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 121.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.95
ACD/LogD (pH 5.5): -7.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 72.4±7.0 dyne/cm
Molar Volume: 316.9±7.0 cm3

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