ChemSpider 2D Image | (5S)-3-[(2R)-2-Hydroxy-12-{(2R,5S)-5-[(1S)-1,4,5-trihydroxydodecyl]tetrahydro-2-furanyl}dodecyl]-5-methyl-2(5H)-furanone | C33H60O7

(5S)-3-[(2R)-2-Hydroxy-12-{(2R,5S)-5-[(1S)-1,4,5-trihydroxydodecyl]tetrahydro-2-furanyl}dodecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC33H60O7
  • Average mass568.825 Da
  • Monoisotopic mass568.433899 Da
  • ChemSpider ID9072336

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(5S)-3-[(2R)-2-Hydroxy-12-{(2R,5S)-5-[(1S)-1,4,5-trihydroxydodecyl]tetrahydro-2-furanyl}dodecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(2R)-2-Hydroxy-12-{(2R,5S)-5-[(1S)-1,4,5-trihydroxydodecyl]tetrahydro-2-furanyl}dodecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(2R)-2-Hydroxy-12-{(2R,5S)-5-[(1S)-1,4,5-trihydroxydodécyl]tétrahydro-2-furanyl}dodécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(2R)-2-hydroxy-12-[(2R,5S)-tetrahydro-5-[(1S)-1,4,5-trihydroxydodecyl]-2-furanyl]dodecyl]-5-methyl-, (5S)- [ACD/Index Name]
(5S)-3-[(2R)-2-hydroxy-12-{(2R,5S)-5-[(1S)-1,4,5-trihydroxydodecyl]tetrahydrofuran-2-yl}dodecyl]-5-methylfuran-2(5H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458590/
muricin D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 744.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 227.2±23.6 °C
Index of Refraction: 1.506
Molar Refractivity: 159.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 38275.39
ACD/KOC (pH 5.5): 66379.99
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 38275.39
ACD/KOC (pH 7.4): 66379.99
Polar Surface Area: 116 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 537.8±3.0 cm3

Click to predict properties on the Chemicalize site


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