ChemSpider 2D Image | (5S)-3-[(8E,13R)-13-Hydroxy-8-(hydroxyimino)-13-{(2R,2'R)-5'-[(1S)-1-hydroxynonyl]octahydro-2,2'-bifuran-5-yl}tridecyl]-5-methyl-2(5H)-furanone | C35H61NO7

(5S)-3-[(8E,13R)-13-Hydroxy-8-(hydroxyimino)-13-{(2R,2'R)-5'-[(1S)-1-hydroxynonyl]octahydro-2,2'-bifuran-5-yl}tridecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC35H61NO7
  • Average mass607.861 Da
  • Monoisotopic mass607.444824 Da
  • ChemSpider ID8252981

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(5S)-3-[(8E,13R)-13-Hydroxy-8-(hydroxyimino)-13-{(2R,2'R)-5'-[(1S)-1-hydroxynonyl]octahydro-2,2'-bifuran-5-yl}tridecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(8E,13R)-13-Hydroxy-8-(hydroxyimino)-13-{(2R,2'R)-5'-[(1S)-1-hydroxynonyl]octahydro-2,2'-bifuran-5-yl}tridecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(8E,13R)-13-Hydroxy-8-(hydroxyimino)-13-{(2R,2'R)-5'-[(1S)-1-hydroxynonyl]octahydro-2,2'-bifuran-5-yl}tridécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(8E,13R)-13-hydroxy-8-(hydroxyimino)-13-[(2R,2'R)-octahydro-5'-[(1S)-1-hydroxynonyl][2,2'-bifuran]-5-yl]tridecyl]-5-methyl-, (5S)- [ACD/Index 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: 764.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 416.3±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 166.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 85996.86
ACD/KOC (pH 5.5): 118490.16
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 85995.91
ACD/KOC (pH 7.4): 118488.87
Polar Surface Area: 118 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 521.0±7.0 cm3

Click to predict properties on the Chemicalize site


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