ChemSpider 2D Image | 2-[6-Ethyl-2-hydroxy-5-(3-methylbutyl)tetrahydro-2H-pyran-2-yl]-2-hydroxy-N-(6-hydroxy-22-isopropyl-7,19-dimethyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1,4,7,10,13,16] oxapentaazacyclononadecin-23-yl)propanamide | C39H66N8O12

2-[6-Ethyl-2-hydroxy-5-(3-methylbutyl)tetrahydro-2H-pyran-2-yl]-2-hydroxy-N-(6-hydroxy-22-isopropyl-7,19-dimethyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1,4,7,10,13,16] oxapentaazacyclononadecin-23-yl)propanamide

  • Molecular FormulaC39H66N8O12
  • Average mass838.988 Da
  • Monoisotopic mass838.480042 Da
  • ChemSpider ID8503621

More details:

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

2-[6-Ethyl-2-hydroxy-5-(3-methylbutyl)tetrahydro-2H-pyran-2-yl]-2-hydroxy-N-(6-hydroxy-22-isopropyl-7,19-dimethyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1,4,7,10,13,16] oxapentaazacyclononadecin-23-yl)propanamid [German] [ACD/IUPAC Name]
2-[6-Ethyl-2-hydroxy-5-(3-methylbutyl)tetrahydro-2H-pyran-2-yl]-2-hydroxy-N-(6-hydroxy-22-isopropyl-7,19-dimethyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1,4,7,10,13,16] oxapentaazacyclononadecin-23-yl)propanamide [ACD/IUPAC Name]
2-[6-Éthyl-2-hydroxy-5-(3-méthylbutyl)tétrahydro-2H-pyran-2-yl]-2-hydroxy-N-(6-hydroxy-22-isopropyl-7,19-diméthyl-5,8,11,17,20,24-hexaoxodocosahydro-13H,22H-dipyridazino[6,1-f:6',1'-o][1,4,7,10,13,16] oxapentaazacyclononadécin-23-yl)propanamide [French] [ACD/IUPAC Name]
Pipalamycin

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 213.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.43
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 84.5±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 631.5±5.0 cm3

Click to predict properties on the Chemicalize site


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