ChemSpider 2D Image | (5S)-3-[(2R,8R)-2,8-Dihydroxy-9-{(2S,5S)-5-[(1S)-1,4,5-trihydroxyheptadecyl]tetrahydro-2-furanyl}nonyl]-5-methyl-2(5H)-furanone | C35H64O8

(5S)-3-[(2R,8R)-2,8-Dihydroxy-9-{(2S,5S)-5-[(1S)-1,4,5-trihydroxyheptadecyl]tetrahydro-2-furanyl}nonyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC35H64O8
  • Average mass612.878 Da
  • Monoisotopic mass612.460144 Da
  • ChemSpider ID8992846

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(5S)-3-[(2R,8R)-2,8-Dihydroxy-9-[(2S,5S)-tetrahydro-5-[(1S)-1,4,5-trihydroxyheptadecyl]-2-furanyl]nonyl]-5-methyl-2(5H)-furanone
(5S)-3-[(2R,8R)-2,8-Dihydroxy-9-{(2S,5S)-5-[(1S)-1,4,5-trihydroxyheptadecyl]tetrahydro-2-furanyl}nonyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(2R,8R)-2,8-Dihydroxy-9-{(2S,5S)-5-[(1S)-1,4,5-trihydroxyheptadecyl]tetrahydro-2-furanyl}nonyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(2R,8R)-2,8-Dihydroxy-9-{(2S,5S)-5-[(1S)-1,4,5-trihydroxyheptadécyl]tétrahydro-2-furanyl}nonyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
184093-46-7 [RN]
2(5H)-Furanone, 3-[(2R,8R)-2,8-dihydroxy-9-[(2S,5S)-tetrahydro-5-[(1S)-1,4,5-trihydroxyheptadecyl]-2-furanyl]nonyl]-5-methyl-, (5S)- [ACD/Index Name]
(5S)-3-[(2R,8R)-2,8-dihydroxy-9-[(2S,5S)-5-[(1S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-5-methyl-2,5-dihydrofuran-2-one
(5S)-3-[(2R,8R)-2,8-dihydroxy-9-[(2S,5S)-5-[(1S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-5-methyl-5H-furan-2-one
Annopentocin C

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 789.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.9±6.0 kJ/mol
Flash Point: 238.0±26.4 °C
Index of Refraction: 1.512
Molar Refractivity: 170.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10604.27
ACD/KOC (pH 5.5): 26486.74
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10604.27
ACD/KOC (pH 7.4): 26486.74
Polar Surface Area: 137 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 568.7±3.0 cm3

Click to predict properties on the Chemicalize site


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