ChemSpider 2D Image | (3aS,4R,6S,7R,7aR)-2,2-Dimethyl-6-[(1R,2S,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.0~2,4~]non-5-yloxy]-4-[(trityloxy)methyl]tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol | C34H36O9

(3aS,4R,6S,7R,7aR)-2,2-Dimethyl-6-[(1R,2S,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.02,4]non-5-yloxy]-4-[(trityloxy)methyl]tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol

  • Molecular FormulaC34H36O9
  • Average mass588.644 Da
  • Monoisotopic mass588.235962 Da
  • ChemSpider ID9321449

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3aS,4R,6S,7R,7aR)-2,2-Dimethyl-6-[(1R,2S,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.02,4]non-5-yloxy]-4-[(trityloxy)methyl]tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol [ACD/IUPAC Name]
(3aS,4R,6S,7R,7aR)-2,2-Dimethyl-6-[(1R,2S,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.02,4]non-5-yloxy]-4-[(trityloxy)methyl]tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol [German] [ACD/IUPAC Name]
(3aS,4R,6S,7R,7aR)-2,2-Diméthyl-6-[(1R,2S,4S,5R,6R)-3,8,9-trioxatricyclo[4.2.1.02,4]non-5-yloxy]-4-[(trityloxy)méthyl]tétrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.19
ACD/LogD (pH 5.5): 7.04
ACD/BCF (pH 5.5): 132414.73
ACD/KOC (pH 5.5): 161383.64
ACD/LogD (pH 7.4): 7.04
ACD/BCF (pH 7.4): 132413.86
ACD/KOC (pH 7.4): 161382.58
Polar Surface Area: 97 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 427.1±5.0 cm3

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