Found 1 result

Search term: MF = 'C_{56}H_{103}N_{16}O_{13}'

ChemSpider 2D Image | 3-{[2-({4-Ammonio-2-[(6-methyloctanoyl)amino]butanoyl}amino)-3-hydroxybutanoyl]amino}-4-oxo-4-{[6,9,18-tris(2-ammonioethyl)-15-benzyl-3-(1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10
,13,16,19-heptaazacyclotricosan-21-yl]amino}-1-butanaminium | C56H103N16O13

3-{[2-({4-Ammonio-2-[(6-methyloctanoyl)amino]butanoyl}amino)-3-hydroxybutanoyl]amino}-4-oxo-4-{[6,9,18-tris(2-ammonioethyl)-15-benzyl-3-(1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10 ,13,16,19-heptaazacyclotricosan-21-yl]amino}-1-butanaminium

  • Molecular FormulaC56H103N16O13
  • Average mass1208.514 Da
  • Monoisotopic mass1207.786255 Da
  • ChemSpider ID21240383
  • Charge - Charge


More details:






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

3-{[2-({4-Ammonio-2-[(6-methyloctanoyl)amino]butanoyl}amino)-3-hydroxybutanoyl]amino}-4-oxo-4-{[6,9,18-tris(2-ammonioethyl)-15-benzyl-3-(1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10 ,13,16,19-heptaazacyclotricosan-21-yl]amino}-1-butanaminium [ACD/IUPAC Name]
3-{[2-({4-Ammonio-2-[(6-methyloctanoyl)amino]butanoyl}amino)-3-hydroxybutanoyl]amino}-4-oxo-4-{[6,9,18-tris(2-ammonioethyl)-15-benzyl-3-(1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10 ,13,16,19-heptaazacyclotricosan-21-yl]amino}-1-butanaminium [German] [ACD/IUPAC Name]
3-{[2-({4-Ammonio-2-[(6-méthyloctanoyl)amino]butanoyl}amino)-3-hydroxybutanoyl]amino}-4-oxo-4-{[6,9,18-tris(2-ammonioéthyl)-15-benzyl-3-(1-hydroxyéthyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10 ,13,16,19-heptaazacyclotricosan-21-yl]amino}-1-butanaminium [French] [ACD/IUPAC Name]
Octanamide, N-[3-amino-1-[[[1-[[[3-amino-1-[[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-15-(phenylmethyl)-1,4,7,10,13,16,19-heptaazacyclotricos-21-yl] amino]carbonyl]propyl]amino]carbonyl]-2-hydroxypropyl]amino]carbonyl]propyl]-6-methyl-, conjugate pentaacid [ACD/Index Name]

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

Density:
Boiling Point: 1571.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 256.3±3.0 kJ/mol
Flash Point: 904.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 29
#H bond donors: 23
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -11.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 499 Å2
Polarizability:
Surface Tension:
Molar Volume:

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