ChemSpider 2D Image | beta-Aspartyl-N-{[1,19-dihydroxy-12-(1-hydroxyethyl)-24-(1-hydroxy-2-methylpropyl)-27-[1-(1H-indol-3-yl)ethyl]-30-(1H-indol-3-ylmethylene)-9,16-dimethyl-5,8,11,14,18,23,26,29,32-nonaoxotriacontahydro- 18H-dipyrrolo[2,1-c:2',1'-o][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosin-15-yl]methyl}serinamide | C60H79N13O19

β-Aspartyl-N-{[1,19-dihydroxy-12-(1-hydroxyethyl)-24-(1-hydroxy-2-methylpropyl)-27-[1-(1H-indol-3-yl)ethyl]-30-(1H-indol-3-ylmethylene)-9,16-dimethyl-5,8,11,14,18,23,26,29,32-nonaoxotriacontahydro- 18H-dipyrrolo[2,1-c:2',1'-o][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosin-15-yl]methyl}serinamide

  • Molecular FormulaC60H79N13O19
  • Average mass1286.345 Da
  • Monoisotopic mass1285.561523 Da
  • ChemSpider ID90197

More details:

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

Serinamide, β-aspartyl-N-[[triacontahydro-1,19-dihydroxy-12-(1-hydroxyethyl)-24-(1-hydroxy-2-methylpropyl)-27-[1-(1H-indol-3-yl)ethyl]-30-(1H-indol-3-ylmethylene)-9,16-dimethyl-5,8,11,14,18,23,26,2 9,32-nonaoxo-18H-dipyrrolo[2,1-c:2',1'-o][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosin-15-yl]methyl]- [ACD/Index Name]
β-Asparagyl-N-{[1,19-dihydroxy-12-(1-hydroxyethyl)-24-(1-hydroxy-2-methylpropyl)-27-[1-(1H-indol-3-yl)ethyl]-30-(1H-indol-3-ylmethylen)-9,16-dimethyl-5,8,11,14,18,23,26,29,32-nonaoxotriacontahydro- 18H-dipyrrolo[2,1-c:2',1'-o][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosin-15-yl]methyl}serinamid [German] [ACD/IUPAC Name]
β-Aspartyl-N-{[1,19-dihydroxy-12-(1-hydroxyethyl)-24-(1-hydroxy-2-methylpropyl)-27-[1-(1H-indol-3-yl)ethyl]-30-(1H-indol-3-ylmethylene)-9,16-dimethyl-5,8,11,14,18,23,26,29,32-nonaoxotriacontahydro- 18H-dipyrrolo[2,1-c:2',1'-o][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosin-15-yl]methyl}serinamide [ACD/IUPAC Name]
β-Aspartyl-N-{[1,19-dihydroxy-12-(1-hydroxyéthyl)-24-(1-hydroxy-2-méthylpropyl)-27-[1-(1H-indol-3-yl)éthyl]-30-(1H-indol-3-ylméthylène)-9,16-diméthyl-5,8,11,14,18,23,26,29,32-nonaoxotriacontahydro- 18H-dipyrrolo[2,1-c:2',1'-o][1,4,7,10,13,16,19,22,25]oxaoctaazacyclooctacosin-15-yl]méthyl}sérinamide [French] [ACD/IUPAC Name]
19246-24-3 [RN]
242-913-9 [EINECS]

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

NSC235069 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1760.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 295.5±3.0 kJ/mol
Flash Point: 1018.7±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 324.3±0.4 cm3
#H bond acceptors: 32
#H bond donors: 18
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -7.62
ACD/LogD (pH 5.5): -9.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 496 Å2
Polarizability: 128.6±0.5 10-24cm3
Surface Tension: 90.5±5.0 dyne/cm
Molar Volume: 852.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement