ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (1S,3S,4S,5R,6R,7R)-6,7-bis(benzyloxy)-4-hydroxy-1-(3-hydroxypropyl)-4-vinyl-2,8-dioxabicyclo[3.2.1]octane-3,5-dicarboxylate | C35H46O10

Bis(2-methyl-2-propanyl) (1S,3S,4S,5R,6R,7R)-6,7-bis(benzyloxy)-4-hydroxy-1-(3-hydroxypropyl)-4-vinyl-2,8-dioxabicyclo[3.2.1]octane-3,5-dicarboxylate

  • Molecular FormulaC35H46O10
  • Average mass626.734 Da
  • Monoisotopic mass626.309082 Da
  • ChemSpider ID8969328

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S,4S,5R,6R,7R)-6,7-Bis(benzyloxy)-4-hydroxy-1-(3-hydroxypropyl)-4-vinyl-2,8-dioxabicyclo[3.2.1]octane-3,5-dicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (1S,3S,4S,5R,6R,7R)-6,7-bis(benzyloxy)-4-hydroxy-1-(3-hydroxypropyl)-4-vinyl-2,8-dioxabicyclo[3.2.1]octane-3,5-dicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(1S,3S,4S,5R,6R,7R)-6,7-bis(benzyloxy)-4-hydroxy-1-(3-hydroxypropyl)-4-vinyl-2,8-dioxabicyclo[3.2.1]octan-3,5-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 701.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 212.6±26.4 °C
Index of Refraction: 1.572
Molar Refractivity: 167.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 11.98
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 391913.91
ACD/KOC (pH 5.5): 350895.63
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 391787.84
ACD/KOC (pH 7.4): 350782.75
Polar Surface Area: 130 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 508.7±5.0 cm3

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