ChemSpider 2D Image | corticiamide B | C29H32BrCl2N9O8

corticiamide B

  • Molecular FormulaC29H32BrCl2N9O8
  • Average mass785.430 Da
  • Monoisotopic mass783.093445 Da
  • ChemSpider ID17612675

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,4,8,11-tetraazacyclotetradecane-2-acetamide, 9-[(5-bromo-1H-indol-3-yl)methyl]-13-[[2-[[(4,5-dichloro-1-methyl-1H-pyrrol-2-yl)carbonyl]amino]acetyl]amino]-6-hydroxy-3,7,10,14-tetraoxo-, (2R,6S,9R,13S)-
1H-Pyrrole-2-carboxamide, N-[2-[[(3R,6S,10R,13S)-3-(2-amino-2-oxoethyl)-10-[(5-bromo-1H-indol-3-yl)methyl]-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetraazacyclotetradec-6-yl]amino]-2-oxoethyl]-4,5-dichl oro-1-methyl- [ACD/Index Name]
corticiamide B
N-[2-({(3R,6S,10R,13S)-3-(2-Amino-2-oxoethyl)-10-[(5-brom-1H-indol-3-yl)methyl]-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetraazacyclotetradecan-6-yl}amino)-2-oxoethyl]-4,5-dichlor-1-methyl-1H-pyrrol-2-c arboxamid [German] [ACD/IUPAC Name]
N-[2-({(3R,6S,10R,13S)-3-(2-Amino-2-oxoethyl)-10-[(5-bromo-1H-indol-3-yl)methyl]-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetraazacyclotetradecan-6-yl}amino)-2-oxoethyl]-4,5-dichloro-1-methyl-1H-pyrrole- 2-carboxamide [ACD/IUPAC Name]
N-[2-({(3R,6S,10R,13S)-3-(2-Amino-2-oxoéthyl)-10-[(5-bromo-1H-indol-3-yl)méthyl]-13-hydroxy-2,5,9,12-tétraoxo-1,4,8,11-tétraazacyclotétradécan-6-yl}amino)-2-oxoéthyl]-4,5-dichloro-1-méthyl-1H-pyrrole- 2-carboxamide [French] [ACD/IUPAC Name]
N-[2-({(3R,6S,10R,13S)-3-(2-amino-2-oxoethyl)-10-[(5-bromo-1H-indol-3-yl)methyl]-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetraazacyclotetradecan-6-yl}amino)-2-oxoethyl]-4,5-dichloro-1-methyl-1H-pyrrole-2-carboxamide
cyclocinamide B

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1327.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 209.3±3.0 kJ/mol
Flash Point: 756.5±34.3 °C
Index of Refraction: 1.751
Molar Refractivity: 176.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.62
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.62
Polar Surface Area: 259 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 74.8±7.0 dyne/cm
Molar Volume: 433.1±7.0 cm3

Click to predict properties on the Chemicalize site


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