Found 1 result

Search term: 27025887 (Found by CSID)
ChemSpider 2D Image | bisebromoamide | C51H72BrN7O8S

bisebromoamide

  • Molecular FormulaC51H72BrN7O8S
  • Average mass1023.128 Da
  • Monoisotopic mass1021.434631 Da
  • ChemSpider ID27025887

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4R)-2-{(2S,4S)-1-[N-(2,2-Dimethylpropanoyl)-L-alanyl-3-brom-N-methyl-D-tyrosyl]-4-methyl-2-pyrrolidinyl}-4-methyl-N-[(2R)-4-methyl-1-(methyl{(2S)-1-oxo-3-phenyl-1-[(2S)-2-propionyl-1-pyrrolidinyl]-2- propanyl}amino)-1-oxo-2-pentanyl]-4,5-dihydro-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-2-{(2S,4S)-1-[N-(2,2-Dimethylpropanoyl)-L-alanyl-3-bromo-N-methyl-D-tyrosyl]-4-methyl-2-pyrrolidinyl}-4-methyl-N-[(2R)-4-methyl-1-(methyl{(2S)-1-oxo-3-phenyl-1-[(2S)-2-propionyl-1-pyrrolidinyl]-2 -propanyl}amino)-1-oxo-2-pentanyl]-4,5-dihydro-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
(4R)-2-{(2S,4S)-1-[N-(2,2-Diméthylpropanoyl)-L-alanyl-3-bromo-N-méthyl-D-tyrosyl]-4-méthyl-2-pyrrolidinyl}-4-méthyl-N-[(2R)-4-méthyl-1-(méthyl{(2S)-1-oxo-3-phényl-1-[(2S)-2-propionyl-1-pyrrolidinyl]-2 -propanyl}amino)-1-oxo-2-pentanyl]-4,5-dihydro-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-[(2S,4S)-1-[(2R)-3-(3-bromo-4-hydroxyphenyl)-2-[[(2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxopropyl]methylamino]-1-oxopropyl]-4-methyl-2-pyrrolidinyl]-4,5-dihydro-4-methyl-N -[(1R)-3-methyl-1-[[methyl[(1S)-2-oxo-2-[(2S)-2-(1-oxopropyl)-1-pyrrolidinyl]-1-(phenylmethyl)ethyl]amino]carbonyl]butyl]-, (4R)- [ACD/Index Name]
bisebromoamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1115.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.8±3.0 kJ/mol
Flash Point: 628.4±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 271.1±0.5 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7614.99
ACD/KOC (pH 5.5): 20860.88
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6854.54
ACD/KOC (pH 7.4): 18777.66
Polar Surface Area: 214 Å2
Polarizability: 107.5±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 771.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement