ChemSpider 2D Image | N-{[16-Bromo-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}alaninamide | C28H35BrN4O6

N-{[16-Bromo-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}alaninamide

  • Molecular FormulaC28H35BrN4O6
  • Average mass603.505 Da
  • Monoisotopic mass602.174011 Da
  • ChemSpider ID115304

More details:

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

N-{[16-Brom-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}alaninamid [German] [ACD/IUPAC Name]
N-{[16-Bromo-19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15,17,19-pentaen-10-yl]methyl}alaninamide [ACD/IUPAC Name]
N-{[16-Bromo-19-hydroxy-7,18-diméthoxy-6,17,21-triméthyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]hénicosa-4(9),6,15,17,19-pentaén-10-yl]méthyl}alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[(4-bromo-6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-9-yl)methyl]- [ACD/Index Name]
15-Bromosafracin A
92614-44-3 [RN]
Propanamide, 2-amino-N-((4-bromo-6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 736.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 399.4±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 147.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 11.98
ACD/KOC (pH 7.4): 143.23
Polar Surface Area: 134 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 396.8±5.0 cm3

Click to predict properties on the Chemicalize site


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