Found 25 results

Search term: MF = 'C_{37}H_{68}O_{8}'
ChemSpider 2D Image | (5S)-3-[(2R)-9-{(2R,5S)-5-[(1S,4S)-1,4-Dihydroxy-4-{(2S,5S)-5-[(1R)-1-hydroxyundecyl]tetrahydro-2-furanyl}butyl]tetrahydro-2-furanyl}-2-hydroxynonyl]-5-methyldihydro-2(3H)-furanone | C37H68O8

(5S)-3-[(2R)-9-{(2R,5S)-5-[(1S,4S)-1,4-Dihydroxy-4-{(2S,5S)-5-[(1R)-1-hydroxyundecyl]tetrahydro-2-furanyl}butyl]tetrahydro-2-furanyl}-2-hydroxynonyl]-5-methyldihydro-2(3H)-furanone

  • Molecular FormulaC37H68O8
  • Average mass640.931 Da
  • Monoisotopic mass640.491394 Da
  • ChemSpider ID23231392

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(5S)-3-[(2R)-9-{(2R,5S)-5-[(1S,4S)-1,4-Dihydroxy-4-{(2S,5S)-5-[(1R)-1-hydroxyundecyl]tetrahydro-2-furanyl}butyl]tetrahydro-2-furanyl}-2-hydroxynonyl]-5-methyldihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(2R)-9-{(2R,5S)-5-[(1S,4S)-1,4-Dihydroxy-4-{(2S,5S)-5-[(1R)-1-hydroxyundecyl]tetrahydro-2-furanyl}butyl]tetrahydro-2-furanyl}-2-hydroxynonyl]-5-methyldihydro-2(3H)-furanone [ACD/IUPAC Name]
(5S)-3-[(2R)-9-{(2R,5S)-5-[(1S,4S)-1,4-Dihydroxy-4-{(2S,5S)-5-[(1R)-1-hydroxyundécyl]tétrahydro-2-furanyl}butyl]tétrahydro-2-furanyl}-2-hydroxynonyl]-5-méthyldihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
(5S)-3-[(2R)-9-{(2R,5S)-5-[(1S,4S)-1,4-dihydroxy-4-{(2S,5S)-5-[(1R)-1-hydroxyundecyl]tetrahydrofuran-2-yl}butyl]tetrahydrofuran-2-yl}-2-hydroxynonyl]-5-methyldihydrofuran-2(3H)-one
2(3H)-Furanone, 3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-1,4-dihydroxy-4-[(2S,5S)-tetrahydro-5-[(1R)-1-hydroxyundecyl]-2-furanyl]butyl]tetrahydro-2-furanyl]-2-hydroxynonyl]dihydro-5-methyl-, (5S)- [ACD/Index Name]
(S)-3-[(R)-9-((2R,5S)-5-{(1S,4S)-1,4-Dihydroxy-4-[(2S,5S)-5-((R)-1-hydroxy-undecyl)-tetrahydro-furan-2-yl]-butyl}-tetrahydro-furan-2-yl)-2-hydroxy-nonyl]-5-methyl-dihydro-furan-2-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 772.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 228.4±18.1 °C
Index of Refraction: 1.504
Molar Refractivity: 178.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 55506.06
ACD/KOC (pH 5.5): 86612.50
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 55506.06
ACD/KOC (pH 7.4): 86612.50
Polar Surface Area: 126 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 602.1±3.0 cm3

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