ChemSpider 2D Image | N-{[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}alaninamide | C29H33N5O7

N-{[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}alaninamide

  • Molecular FormulaC29H33N5O7
  • Average mass563.602 Da
  • Monoisotopic mass563.237976 Da
  • ChemSpider ID8048321

More details:






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

N-{[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}alaninamid [German] [ACD/IUPAC Name]
N-{[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}alaninamide [ACD/IUPAC Name]
N-{[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}alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-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]- [ACD/Index Name]
saframycin Y3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 857.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 472.6±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 67.20
Polar Surface Area: 172 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

Click to predict properties on the Chemicalize site






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