ChemSpider 2D Image | N-{(10E)-9-Hydroxy-11-[(2S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-9-methyl-10-undecen-1-yl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C28H43N3O6S

N-{(10E)-9-Hydroxy-11-[(2S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-9-methyl-10-undecen-1-yl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

  • Molecular FormulaC28H43N3O6S
  • Average mass549.722 Da
  • Monoisotopic mass549.287231 Da
  • ChemSpider ID8432463

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 7 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-N-[(10E)-9-hydroxy-11-[(2S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-9-methyl-10-undecen-1-yl]-2-oxo-, (3aS,4S,6aR)- [ACD/Index Name]
N-{(10E)-9-Hydroxy-11-[(2S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-9-methyl-10-undecen-1-yl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-{(10E)-9-Hydroxy-11-[(2S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-9-methyl-10-undecen-1-yl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-{(10E)-9-Hydroxy-11-[(2S)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-én-3-yl]-9-méthyl-10-undécén-1-yl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 874.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.4±6.0 kJ/mol
Flash Point: 482.7±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 148.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.16
ACD/KOC (pH 5.5): 195.70
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.16
ACD/KOC (pH 7.4): 195.70
Polar Surface Area: 166 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 438.5±3.0 cm3

Click to predict properties on the Chemicalize site


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