ChemSpider 2D Image | N-{23-[1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloh enicosin-9-yl}-4-(octyloxy)benzamide | C49H71N7O17

N-{23-[1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloh enicosin-9-yl}-4-(octyloxy)benzamide

  • Molecular FormulaC49H71N7O17
  • Average mass1030.125 Da
  • Monoisotopic mass1029.490601 Da
  • ChemSpider ID401859

More details:

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

Benzamide, N-[23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]tetracosahydro-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]he xaazacycloheneicosin-9-yl]-4-(octyloxy)- [ACD/Index Name]
N-{23-[1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloh enicosin-9-yl}-4-(octyloxy)benzamid [German] [ACD/IUPAC Name]
N-{23-[1,2-Dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloh enicosin-9-yl}-4-(octyloxy)benzamide [ACD/IUPAC Name]
N-{23-[1,2-Dihydroxy-2-(4-hydroxyphényl)éthyl]-2,11,12,15-tétrahydroxy-6,20-bis(1-hydroxyéthyl)-16-méthyl-5,8,14,19,22,25-hexaoxotétracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloh énicosin-9-yl}-4-(octyloxy)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1397.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 222.3±3.0 kJ/mol
Flash Point: 798.7±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 258.7±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -5.22
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 377 Å2
Polarizability: 102.6±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 705.4±5.0 cm3

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