ChemSpider 2D Image | (3aR,3bS,5R,7R,7aR,8aR)-2,2,3b,5,7-Pentamethyl-5-[(1R,2R,3S)-1,3,4-tris(benzyloxy)-2-methylbutyl]hexahydro-3bH-[1,3]dioxolo[4,5]furo[3,2-b]pyran | C39H50O7

(3aR,3bS,5R,7R,7aR,8aR)-2,2,3b,5,7-Pentamethyl-5-[(1R,2R,3S)-1,3,4-tris(benzyloxy)-2-methylbutyl]hexahydro-3bH-[1,3]dioxolo[4,5]furo[3,2-b]pyran

  • Molecular FormulaC39H50O7
  • Average mass630.810 Da
  • Monoisotopic mass630.355652 Da
  • ChemSpider ID9105464

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3aR,3bS,5R,7R,7aR,8aR)-2,2,3b,5,7-Pentamethyl-5-[(1R,2R,3S)-1,3,4-tris(benzyloxy)-2-methylbutyl]hexahydro-3bH-[1,3]dioxolo[4,5]furo[3,2-b]pyran [ACD/IUPAC Name]
(3aR,3bS,5R,7R,7aR,8aR)-2,2,3b,5,7-Pentamethyl-5-[(1R,2R,3S)-1,3,4-tris(benzyloxy)-2-methylbutyl]hexahydro-3bH-[1,3]dioxolo[4,5]furo[3,2-b]pyran [German] [ACD/IUPAC Name]
(3aR,3bS,5R,7R,7aR,8aR)-2,2,3b,5,7-Pentaméthyl-5-[(1R,2R,3S)-1,3,4-tris(benzyloxy)-2-méthylbutyl]hexahydro-3bH-[1,3]dioxolo[4,5]furo[3,2-b]pyrane [French] [ACD/IUPAC Name]
D-altro-α-D-gluco-Undecofuranose, 3,7-anhydro-5,6,9-trideoxy-5,9-dimethyl-3,7-di-C-methyl-1,2-O-(1-methylethylidene)-8,10,11-tris-O-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 686.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 249.6±31.4 °C
Index of Refraction: 1.541
Molar Refractivity: 178.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.36
ACD/LogD (pH 5.5): 8.03
ACD/BCF (pH 5.5): 740764.94
ACD/KOC (pH 5.5): 553460.75
ACD/LogD (pH 7.4): 8.03
ACD/BCF (pH 7.4): 740764.94
ACD/KOC (pH 7.4): 553460.75
Polar Surface Area: 65 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 567.3±3.0 cm3

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