Found 25 results

Search term: MF = 'C_{37}H_{68}O_{8}'
ChemSpider 2D Image | (5S)-3-[(13R,14R,17R)-17-{(2R,5R)-5-[(1S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-13,14,17-trihydroxyheptadecyl]-5-methyl-2(5H)-furanone | C37H68O8

(5S)-3-[(13R,14R,17R)-17-{(2R,5R)-5-[(1S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-13,14,17-trihydroxyheptadecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H68O8
  • Average mass640.931 Da
  • Monoisotopic mass640.491394 Da
  • ChemSpider ID24686618

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(5S)-3-[(13R,14R,17R)-17-{(2R,5R)-5-[(1S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-13,14,17-trihydroxyheptadecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(13R,14R,17R)-17-{(2R,5R)-5-[(1S)-1,5-Dihydroxyundecyl]tetrahydro-2-furanyl}-13,14,17-trihydroxyheptadecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(13R,14R,17R)-17-{(2R,5R)-5-[(1S)-1,5-Dihydroxyundécyl]tétrahydro-2-furanyl}-13,14,17-trihydroxyheptadécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(13R,14R,17R)-17-[(2R,5R)-5-[(1S)-1,5-dihydroxyundecyl]tetrahydro-2-furanyl]-13,14,17-trihydroxyheptadecyl]-5-methyl-, (5S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448701/
SQUADIOLIN A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 804.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.2±6.0 kJ/mol
Flash Point: 238.8±25.0 °C
Index of Refraction: 1.512
Molar Refractivity: 179.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14987.03
ACD/KOC (pH 5.5): 33928.51
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14987.03
ACD/KOC (pH 7.4): 33928.51
Polar Surface Area: 137 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 599.3±3.0 cm3

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