ChemSpider 2D Image | xyloketal F | C41H52O10

xyloketal F

  • Molecular FormulaC41H52O10
  • Average mass704.846 Da
  • Monoisotopic mass704.356018 Da
  • ChemSpider ID9709722

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3R,3aR,7aR,10R,10aR,12aR,3'R,3a'R,7a'R,10'R,10a'R,12a'R)-6,6'-Methylenbis(3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromen-5-ol) [German] [ACD/IUPAC Name]
(3R,3aR,7aR,10R,10aR,12aR,3'R,3a'R,7a'R,10'R,10a'R,12a'R)-6,6'-Methylenebis(3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromen-5-ol) [ACD/IUPAC Name]
(3R,3aR,7aR,10R,10aR,12aR,3'R,3a'R,7a'R,10'R,10a'R,12a'R)-6,6'-Méthylènebis(3,7a,10,12a-tétraméthyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromén-5-ol) [French] [ACD/IUPAC Name]
4H,11H-Difuro[3,2-e:3,2-e']benzo[1,2-b:5,6-b']dipyran-5-ol, 6,6'-methylenebis[2,3,3a,7a,9,10,10a,12a-octahydro-3,7a,10,12a-tetramethyl-, (3R,3aR,7aR,10R,10aR,12aR,3'R,3'aR,7'aR,10'R,10'aR,12'aR)- [ACD/Index Name]
xyloketal F

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 187.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15004.66
ACD/KOC (pH 5.5): 33951.35
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14332.50
ACD/KOC (pH 7.4): 32430.45
Polar Surface Area: 114 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 557.3±3.0 cm3

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