ChemSpider 2D Image | Mupirocin methyl ester | C27H46O9

Mupirocin methyl ester

  • Molecular FormulaC27H46O9
  • Average mass514.649 Da
  • Monoisotopic mass514.314209 Da
  • ChemSpider ID10222320

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

9-({(2E)-4-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}méthyl)tétrahydro-2H-pyran-2-yl]-3-méthyl-2-butenoyl}oxy)nonanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}methyl)tetrahydro-2H-pyran-2-yl]-3-methyl-2-butenoyl}oxy)nonanoate [ACD/IUPAC Name]
Methyl-9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}methyl)tetrahydro-2H-pyran-2-yl]-3-methyl-2-butenoyl}oxy)nonanoat [German] [ACD/IUPAC Name]
Mupirocin methyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 633.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.4±6.0 kJ/mol
Flash Point: 199.3±25.0 °C
Index of Refraction: 1.511
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.73
ACD/KOC (pH 5.5): 1640.92
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 217.73
ACD/KOC (pH 7.4): 1640.92
Polar Surface Area: 135 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 448.4±3.0 cm3

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