ChemSpider 2D Image | N-[(1Z)-1-{(E)-[1-([(1Z)-4-Amino-1,3-dihydroxy-6-methyl-1-hepten-1-yl]{(2E)-1-hydroxy-2-[(1,1,3-trihydroxy-6-methyl-1-hepten-4-yl)imino]propyl}amino)-1-hydroxy-3-methyl-2-butanylidene]amino}-1-hydroxy -3-methyl-1-buten-2-yl]acetamide | C31H57N5O9

N-[(1Z)-1-{(E)-[1-([(1Z)-4-Amino-1,3-dihydroxy-6-methyl-1-hepten-1-yl]{(2E)-1-hydroxy-2-[(1,1,3-trihydroxy-6-methyl-1-hepten-4-yl)imino]propyl}amino)-1-hydroxy-3-methyl-2-butanylidene]amino}-1-hydroxy -3-methyl-1-buten-2-yl]acetamide

  • Molecular FormulaC31H57N5O9
  • Average mass643.812 Da
  • Monoisotopic mass643.415649 Da
  • ChemSpider ID95641181

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, N-[(1Z)-1-[[[(1E)-1-[[[(1Z)-4-amino-1,3-dihydroxy-6-methyl-1-hepten-1-yl][(2E)-1-hydroxy-2-[[2,4,4-trihydroxy-1-(2-methylpropyl)-3-buten-1-yl]imino]propyl]amino]hydroxymethyl]-2-methylpropy lidene]amino]hydroxymethylene]-2-methylpropyl]- [ACD/Index Name]
N-[(1Z)-1-{(E)-[1-([(1Z)-4-Amino-1,3-dihydroxy-6-methyl-1-hepten-1-yl]{(2E)-1-hydroxy-2-[(1,1,3-trihydroxy-6-methyl-1-hepten-4-yl)imino]propyl}amino)-1-hydroxy-3-methyl-2-butanyliden]amino}-1-hydroxy- 3-methyl-1-buten-2-yl]acetamid [German] [ACD/IUPAC Name]
N-[(1Z)-1-{(E)-[1-([(1Z)-4-Amino-1,3-dihydroxy-6-methyl-1-hepten-1-yl]{(2E)-1-hydroxy-2-[(1,1,3-trihydroxy-6-methyl-1-hepten-4-yl)imino]propyl}amino)-1-hydroxy-3-methyl-2-butanylidene]amino}-1-hydroxy -3-methyl-1-buten-2-yl]acetamide [ACD/IUPAC Name]
N-[(1Z)-1-{(E)-[1-([(1Z)-4-Amino-1,3-dihydroxy-6-méthyl-1-heptén-1-yl]{(2E)-1-hydroxy-2-[(1,1,3-trihydroxy-6-méthyl-1-heptén-4-yl)imino]propyl}amino)-1-hydroxy-3-méthyl-2-butanylidène]amino}-1-hydroxy -3-méthyl-1-butén-2-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 907.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.8±6.0 kJ/mol
Flash Point: 502.6±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 166.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 14.15
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.15
Polar Surface Area: 245 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 519.0±7.0 cm3

Click to predict properties on the Chemicalize site


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