ChemSpider 2D Image | N-{[(1R,2S,10R,12R,13R,14R)-12-Cyano-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl} -2-oxopropanamide | C29H30N4O9

N-{[(1R,2S,10R,12R,13R,14R)-12-Cyano-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl} -2-oxopropanamide

  • Molecular FormulaC29H30N4O9
  • Average mass578.570 Da
  • Monoisotopic mass578.201294 Da
  • ChemSpider ID8275239

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

N-{[(1R,2S,10R,12R,13R,14R)-12-Cyan-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}- 
2-oxopropanamid [German] [ACD/IUPAC Name]
N-{[(1R,2S,10R,12R,13R,14R)-12-Cyano-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl} ;-2-oxopropanamide [ACD/IUPAC Name]
N-{[(1R,2S,10R,12R,13R,14R)-12-Cyano-14-hydroxy-7,18-diméthoxy-6,17,21-triméthyl-5,8,16,19-tétraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]hénicosa-4(9),6,15(20),17-tétraén-10-yl]méthyl} ;-2-oxopropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[[(5R,6R,7R,9R,14aS,15R)-7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-5-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino[3,2-b][3]benzazocin-9-yl]methyl ]-2-oxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.35
ACD/KOC (pH 5.5): 245.83
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.35
ACD/KOC (pH 7.4): 245.79
Polar Surface Area: 183 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 388.4±5.0 cm3

Click to predict properties on the Chemicalize site


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