ChemSpider 2D Image | N-{[(1S,2S,10R,13R)-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}-L-alaninamide | C28H36N4O6

N-{[(1S,2S,10R,13R)-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}-L-alaninamide

  • Molecular FormulaC28H36N4O6
  • Average mass524.609 Da
  • Monoisotopic mass524.263489 Da
  • ChemSpider ID140880

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-{[(1S,2S,10R,13R)-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}-L-alaninamid [German] [ACD/IUPAC Name]
N-{[(1S,2S,10R,13R)-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}-L-alaninamide [ACD/IUPAC Name]
N-{[(1S,2S,10R,13R)-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}-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[[(6R,9R,14aS,15S)-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]-, (2S)- [ACD/Index Name]
87578-98-1 [RN]
Propanamide, 2-amino-N-((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)-
Safracin A
Y-16482-B''

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

Y-16760 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 388.7±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.57
ACD/KOC (pH 7.4): 33.38
Polar Surface Area: 134 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 384.2±5.0 cm3

Click to predict properties on the Chemicalize site


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