ChemSpider 2D Image | N-{[(1R,2S,10R,13S)-12-Cyano-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-hydroxy-2-methyl
-4-oxopentanamide | C32H36N4O9

N-{[(1R,2S,10R,13S)-12-Cyano-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-hydroxy-2-methyl -4-oxopentanamide

  • Molecular FormulaC32H36N4O9
  • Average mass620.650 Da
  • Monoisotopic mass620.248230 Da
  • ChemSpider ID2343000
  • defined stereocentres - 2 of 6 defined stereocentres


More details:






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

N-{[(1R,2S,10R,13S)-12-Cyan-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-hydroxy-2-methyl- 
4-oxopentanamid [German] [ACD/IUPAC Name]
N-{[(1R,2S,10R,13S)-12-Cyano-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-hydroxy-2-methyl ;-4-oxopentanamide [ACD/IUPAC Name]
N-{[(1R,2S,10R,13S)-12-Cyano-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-hydroxy-2-méthyl ;-4-oxopentanamide [French] [ACD/IUPAC Name]
Pentanamide, N-[[(6S,9R,14aS,15R)-7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-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-hydroxy-2-me thyl-4-oxo- [ACD/Index Name]
25-Dihydro-25-β-ketopropylsaframycin A
92569-01-2 [RN]
Pentanamide, N-((7-cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-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-hydroxy-2-methyl-4-oxo-
saframycin H

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 914.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.9±6.0 kJ/mol
Flash Point: 506.9±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.10
ACD/KOC (pH 5.5): 556.83
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.11
ACD/KOC (pH 7.4): 556.84
Polar Surface Area: 183 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 436.3±5.0 cm3

Click to predict properties on the Chemicalize site






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