ChemSpider 2D Image | N-{[(1S,2S,10R,12S,13R)-12-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-oxopropana mide | C28H31N3O9

N-{[(1S,2S,10R,12S,13R)-12-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-oxopropana mide

  • Molecular FormulaC28H31N3O9
  • Average mass553.560 Da
  • Monoisotopic mass553.206055 Da
  • ChemSpider ID21269840

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-{[(1S,2S,10R,12S,13R)-12-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-oxopropana mid [German] [ACD/IUPAC Name]
N-{[(1S,2S,10R,12S,13R)-12-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-oxopropana mide [ACD/IUPAC Name]
N-{[(1S,2S,10R,12S,13R)-12-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-oxopropana mide [French] [ACD/IUPAC Name]
Propanamide, N-[[(6R,7S,9R,14aS,15S)-1,5,6,7,9,10,13,14,14a,15-decahydro-7-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]
75425-66-0 [RN]
Decyano-saframycin A
Propanamide, N-((1,5,6,7,9,10,13,14,14a,15-decahydro-7-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-
SAFRAMYCIN S

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: 1.640
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.89
ACD/KOC (pH 5.5): 216.88
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.90
ACD/KOC (pH 7.4): 217.00
Polar Surface Area: 160 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 378.3±5.0 cm3

Click to predict properties on the Chemicalize site


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