ChemSpider 2D Image | N-[(2S)-3-Methyl-1-{[(2S)-1-({(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}amino)-4-(methylsulfonyl)-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]hexanamide | C25H45N3O7S

N-[(2S)-3-Methyl-1-{[(2S)-1-({(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}amino)-4-(methylsulfonyl)-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]hexanamide

  • Molecular FormulaC25H45N3O7S
  • Average mass531.706 Da
  • Monoisotopic mass531.297791 Da
  • ChemSpider ID29214693

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Hexanamide, N-[(1S)-2-methyl-1-[[[(1S)-1-[[[(1S)-3-methyl-1-[[(2R)-2-methyloxiranyl]carbonyl]butyl]amino]carbonyl]-3-(methylsulfonyl)propyl]amino]carbonyl]propyl]- [ACD/Index Name]
N-[(2S)-3-Methyl-1-{[(2S)-1-({(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}amino)-4-(methylsulfonyl)-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]hexanamid [German] [ACD/IUPAC Name]
N-[(2S)-3-Methyl-1-{[(2S)-1-({(2S)-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}amino)-4-(methylsulfonyl)-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]hexanamide [ACD/IUPAC Name]
N-[(2S)-3-Méthyl-1-{[(2S)-1-({(2S)-4-méthyl-1-[(2R)-2-méthyl-2-oxiranyl]-1-oxo-2-pentanyl}amino)-4-(méthylsulfonyl)-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]hexanamide [French] [ACD/IUPAC Name]
carmaphycin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 816.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 447.7±34.3 °C
Index of Refraction: 1.504
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.51
ACD/KOC (pH 5.5): 212.31
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.51
ACD/KOC (pH 7.4): 212.31
Polar Surface Area: 159 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 464.8±3.0 cm3

Click to predict properties on the Chemicalize site


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