Found 1 result

Search term: 8030062 (Found by CSID)
ChemSpider 2D Image | N~1~-[(6R,9R,16S,17R)-6-(Hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetraazacycloheptadecan-16-yl]-N~2~-[(10E,12E)-9-hydroxy-10,12-octadecadienoyl]-D-glutama mide | C46H68N8O11

N1-[(6R,9R,16S,17R)-6-(Hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetraazacycloheptadecan-16-yl]-N2-[(10E,12E)-9-hydroxy-10,12-octadecadienoyl]-D-glutama mide

  • Molecular FormulaC46H68N8O11
  • Average mass909.079 Da
  • Monoisotopic mass908.500732 Da
  • ChemSpider ID8030062

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

D-Glutamamide, N1-[(6R,9R,16S,17R)-6-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetraazacycloheptadec-16-yl]-N2-[(10E,12E)-9-hydroxy-1-oxo-10,12-octadec adien-1-yl]- [ACD/Index Name]
N1-[(6R,9R,16S,17R)-6-(Hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetraazacycloheptadecan-16-yl]-N2-[(10E,12E)-9-hydroxy-10,12-octadecadienoyl]-D-glutama
 mid [German] [ACD/IUPAC Name]
N1-[(6R,9R,16S,17R)-6-(Hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetraazacycloheptadecan-16-yl]-N2-[(10E,12E)-9-hydroxy-10,12-octadecadienoyl]-D-glutama
 mide [ACD/IUPAC Name]
N1-[(6R,9R,16S,17R)-6-(Hydroxyméthyl)-9-(1H-indol-3-ylméthyl)-17-méthyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tétraazacycloheptadécan-16-yl]-N2-[(10E,12E)-9-hydroxy-10,12-octadecadienoyl]-D-glutama
 mide [French] [ACD/IUPAC Name]
Aselacin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1356.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 214.7±3.0 kJ/mol
Flash Point: 774.3±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 243.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -0.25
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 44.84
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 44.84
Polar Surface Area: 300 Å2
Polarizability: 96.4±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 711.1±5.0 cm3

Click to predict properties on the Chemicalize site


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