Found 1 result

Search term: 78440253 (Found by CSID)
ChemSpider 2D Image | N-[(3S,6R,9R,15R,16R)-12-Benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-Nalpha-(1H-pyrrol-2-ylcarbonyl)-L-phenylalaninamide | C46H47N7O12

N-[(3S,6R,9R,15R,16R)-12-Benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-Nα-(1H-pyrrol-2-ylcarbonyl)-L-phenylalaninamide

  • Molecular FormulaC46H47N7O12
  • Average mass889.905 Da
  • Monoisotopic mass889.328247 Da
  • ChemSpider ID78440253

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N-[(1S)-2-[[(3S,6R,9R,15R,16R)-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-12-(phenylmethyl)-1-oxa-4,7,10,13-tetraazacyclohexadec-15-yl]amino]-2-oxo-1-(ph enylmethyl)ethyl]- [ACD/Index Name]
N-[(3S,6R,9R,15R,16R)-12-Benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-Nα-(1H-pyrrol-2-ylcarbonyl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(3S,6R,9R,15R,16R)-12-Benzyl-3,6-bis(3,5-dihydroxyphenyl)-9,16-dimethyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-Nα-(1H-pyrrol-2-ylcarbonyl)-L-phenylalaninamide [ACD/IUPAC Name]
N-[(3S,6R,9R,15R,16R)-12-Benzyl-3,6-bis(3,5-dihydroxyphényl)-9,16-diméthyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tétraazacyclohexadécan-15-yl]-Nα-(1H-pyrrol-2-ylcarbonyl)-L-phénylalaninamide [French] [ACD/IUPAC Name]
Cochinmicin V

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1425.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 225.1±3.0 kJ/mol
Flash Point: 815.9±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 231.3±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.43
ACD/KOC (pH 5.5): 146.18
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.34
ACD/KOC (pH 7.4): 144.35
Polar Surface Area: 298 Å2
Polarizability: 91.7±0.5 10-24cm3
Surface Tension: 87.6±5.0 dyne/cm
Molar Volume: 596.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement