ChemSpider 2D Image | N-{[(1S,2S,10R,12S,13R)-12,19-Dihydroxy-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 | C28H36N4O7

N-{[(1S,2S,10R,12S,13R)-12,19-Dihydroxy-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 FormulaC28H36N4O7
  • Average mass540.608 Da
  • Monoisotopic mass540.258423 Da
  • ChemSpider ID140881

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

N-{[(1S,2S,10R,12S,13R)-12,19-Dihydroxy-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,12S,13R)-12,19-Dihydroxy-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,12S,13R)-12,19-Dihydroxy-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,7S,9R,14aS,15S)-6,7,9,10,13,14,14a,15-octahydro-1,7-dihydroxy-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]
82029-27-4 [RN]
87578-99-2 [RN]
Antibiotic EM 5519
Antibiotic Y 16482α
Antibiotic Y 16482-α
Propanamide, 2-amino-N-((6,7,9,10,13,14,14a,15-octahydro-1,7-dihydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EM 5519 [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: 755.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.4±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.35
Polar Surface Area: 155 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 382.0±5.0 cm3

Click to predict properties on the Chemicalize site


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