Found 1 result

Search term: CQFGTRQXLLPFCS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (5S)-3-[(2R,5E,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1S)-1-hydroxytridecyl]tetrahydro-2-furanyl}-7-oxo-5-tridecen-1-yl]-5-methyl-2(5H)-furanone | C35H60O7

(5S)-3-[(2R,5E,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1S)-1-hydroxytridecyl]tetrahydro-2-furanyl}-7-oxo-5-tridecen-1-yl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC35H60O7
  • Average mass592.847 Da
  • Monoisotopic mass592.433899 Da
  • ChemSpider ID9574079
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(5S)-3-[(2R,5E,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1S)-1-hydroxytridecyl]tetrahydro-2-furanyl}-7-oxo-5-tridecen-1-yl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(2R,5E,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1S)-1-hydroxytridecyl]tetrahydro-2-furanyl}-7-oxo-5-tridecen-1-yl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(2R,5E,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1S)-1-hydroxytridécyl]tétrahydro-2-furanyl}-7-oxo-5-tridécén-1-yl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(2R,5E,13R)-2,13-dihydroxy-7-oxo-13-[(2R,5R)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]-5-tridecen-1-yl]-5-methyl-, (5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 758.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 229.2±26.4 °C
Index of Refraction: 1.509
Molar Refractivity: 167.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 118265.31
ACD/KOC (pH 5.5): 148843.38
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 118265.31
ACD/KOC (pH 7.4): 148843.38
Polar Surface Area: 113 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 561.3±3.0 cm3

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