Found 8 results

Search term: MF = 'C_{41}H_{52}O_{10}'
ChemSpider 2D Image | (2R,3aR,7aR,10R,10aR,12aR)-6-{[(3R,3aR,7aR,10R,10aR,12aR)-5-Hydroxy-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-6-yl]methyl}-2,7a,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 | C41H52O10

(2R,3aR,7aR,10R,10aR,12aR)-6-{[(3R,3aR,7aR,10R,10aR,12aR)-5-Hydroxy-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-6-yl]methyl}-2,7a,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

  • Molecular FormulaC41H52O10
  • Average mass704.846 Da
  • Monoisotopic mass704.356018 Da
  • ChemSpider ID78436734

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2R,3aR,7aR,10R,10aR,12aR)-6-{[(3R,3aR,7aR,10R,10aR,12aR)-5-Hydroxy-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-6-yl]methyl}-2,7a,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]
(2R,3aR,7aR,10R,10aR,12aR)-6-{[(3R,3aR,7aR,10R,10aR,12aR)-5-Hydroxy-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-6-yl]methyl}-2,7a,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]
(2R,3aR,7aR,10R,10aR,12aR)-6-{[(3R,3aR,7aR,10R,10aR,12aR)-5-Hydroxy-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-6-yl]méthyl}-2,7a,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, 2,3,3a,7a,9,10,10a,12a-octahydro-2,7a,10,12a-tetramethyl-6-[[(3R,3aR,7aR,10R,10aR,12aR)-2,3,3a,7a,9,10,10a,12a-octahydro-5-hydroxy-3,7a,10,1 2a-tetramethyl-4H,11H-difuro[3,2-e:3,2-e']benzo[1,2-b:3,4-b']dipyran-6-yl]methyl]-, (2R,3aR,7aR,10R,10aR,12aR)- [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): 14947.44
ACD/KOC (pH 5.5): 33858.66
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14279.66
ACD/KOC (pH 7.4): 32346.03
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

Click to predict properties on the Chemicalize site


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