ChemSpider 2D Image | (2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-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]-2-hyd roxy-2-{(2R,5R,6R)-2-hydroxy-6-methyl-5-[(2S)-2-methylbutyl]tetrahydro-2H-pyran-2-yl}propanamide | C38H64N8O13

(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-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]-2-hyd roxy-2-{(2R,5R,6R)-2-hydroxy-6-methyl-5-[(2S)-2-methylbutyl]tetrahydro-2H-pyran-2-yl}propanamide

  • Molecular FormulaC38H64N8O13
  • Average mass840.961 Da
  • Monoisotopic mass840.459290 Da
  • ChemSpider ID8138229

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-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]-2-hyd roxy-2-{(2R,5R,6R)-2-hydroxy-6-methyl-5-[(2S)-2-methylbutyl]tetrahydro-2H-pyran-2-yl}propanamid [German] [ACD/IUPAC Name]
(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-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]-2-hyd roxy-2-{(2R,5R,6R)-2-hydroxy-6-methyl-5-[(2S)-2-methylbutyl]tetrahydro-2H-pyran-2-yl}propanamide [ACD/IUPAC Name]
(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-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]-2-hyd roxy-2-{(2R,5R,6R)-2-hydroxy-6-méthyl-5-[(2S)-2-méthylbutyl]tétrahydro-2H-pyran-2-yl}propanamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 210.2±0.4 cm3
#H bond acceptors: 21
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -3.04
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 280 Å2
Polarizability: 83.3±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 611.5±5.0 cm3

Click to predict properties on the Chemicalize site


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