Found 6 results

Search term: MF = 'C_{37}H_{61}N_{5}O_{9}'
ChemSpider 2D Image | 5-({(5S,9S,10S,13S,16S,17S)-9-Hydroxy-10-isobutyl-5-isopropyl-13-[2-(4-methoxyphenyl)ethyl]-17-methyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazanonadecan-16-yl}amino)-5-oxopentanoic acid | C37H61N5O9

5-({(5S,9S,10S,13S,16S,17S)-9-Hydroxy-10-isobutyl-5-isopropyl-13-[2-(4-methoxyphenyl)ethyl]-17-methyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazanonadecan-16-yl}amino)-5-oxopentanoic acid

  • Molecular FormulaC37H61N5O9
  • Average mass719.908 Da
  • Monoisotopic mass719.446899 Da
  • ChemSpider ID9731488

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

3,6,11,14,17-Pentaazadocosan-22-oic acid, 9-hydroxy-13-[2-(4-methoxyphenyl)ethyl]-5-(1-methylethyl)-16-[(1S)-1-methylpropyl]-10-(2-methylpropyl)-4,7,12,15,18-pentaoxo-, (5S,9S,10S,13S,16S)- [ACD/Index Name]
5-({(5S,9S,10S,13S,16S,17S)-9-Hydroxy-10-isobutyl-5-isopropyl-13-[2-(4-methoxyphenyl)ethyl]-17-methyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazanonadecan-16-yl}amino)-5-oxopentanoic acid [ACD/IUPAC Name]
5-({(5S,9S,10S,13S,16S,17S)-9-Hydroxy-10-isobutyl-5-isopropyl-13-[2-(4-methoxyphenyl)ethyl]-17-methyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazanonadecan-16-yl}amino)-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-({(5S,9S,10S,13S,16S,17S)-9-hydroxy-10-isobutyl-5-isopropyl-13-[2-(4-méthoxyphényl)éthyl]-17-méthyl-4,7,12,15-tétraoxo-3,6,11,14-tétraazanonadécan-16-yl}amino)-5-oxopentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1046.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.4±3.0 kJ/mol
Flash Point: 586.7±34.3 °C
Index of Refraction: 1.522
Molar Refractivity: 193.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 4.77
ACD/KOC (pH 5.5): 58.42
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 633.3±3.0 cm3

Click to predict properties on the Chemicalize site


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