ChemSpider 2D Image | 3-[22-(3-Aminopropyl)-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis(1-hydroxyethyl)-6-isopropyl-12-methyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-19-tridecyltetracontahydro-1H,5H,21H -dipyrrolo[2,1-o:2',1'-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontin-31-yl]-3-hydroxypropanamide | C71H116N14O23

3-[22-(3-Aminopropyl)-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis(1-hydroxyethyl)-6-isopropyl-12-methyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-19-tridecyltetracontahydro-1H,5H,21H -dipyrrolo[2,1-o:2',1'-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontin-31-yl]-3-hydroxypropanamide

  • Molecular FormulaC71H116N14O23
  • Average mass1533.761 Da
  • Monoisotopic mass1532.833740 Da
  • ChemSpider ID7988406

More details:

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

1H,5H,21H-Dipyrrolo[2,1-o:2',1'-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontine-31-propanamide, 22-(3-aminopropyl)tetracontahydro-β,2,34-trihydroxy-15,25,39,42-tetrakis(1-hydro xyethyl)-9-[(4-hydroxyphenyl)methyl]-12-methyl-6-(1-methylethyl)-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-19-tridecyl- [ACD/Index Name]
3-[22-(3-Aminopropyl)-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis(1-hydroxyethyl)-6-isopropyl-12-methyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-19-tridecyltetracontahydro-1H,5H,21H -dipyrrolo[2,1-o:2',1'-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontin-31-yl]-3-hydroxypropanamid [German] [ACD/IUPAC Name]
3-[22-(3-Aminopropyl)-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis(1-hydroxyethyl)-6-isopropyl-12-methyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-19-tridecyltetracontahydro-1H,5H,21H -dipyrrolo[2,1-o:2',1'-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontin-31-yl]-3-hydroxypropanamide [ACD/IUPAC Name]
3-[22-(3-Aminopropyl)-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tétrakis(1-hydroxyéthyl)-6-isopropyl-12-méthyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridécaoxo-19-tridécyltétracontahydro-1H,5H,21H -dipyrrolo[2,1-o:2',1'-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodécaazacyclotétracontin-31-yl]-3-hydroxypropanamide [French] [ACD/IUPAC Name]
FR901469

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1811.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 306.4±3.0 kJ/mol
Flash Point: 1049.1±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 388.4±0.4 cm3
#H bond acceptors: 37
#H bond donors: 22
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -9.10
ACD/LogD (pH 5.5): -10.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 589 Å2
Polarizability: 154.0±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 1118.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement