ChemSpider 2D Image | 3-[(1S,3R,4R,5R,6R,7R)-6,7-Bis(benzyloxy)-4-hydroxy-3,5-bis(hydroxymethyl)-4-(1-hydroxyvinyl)-2,8-dioxabicyclo[3.2.1]oct-1-yl]propanal | C27H32O9

3-[(1S,3R,4R,5R,6R,7R)-6,7-Bis(benzyloxy)-4-hydroxy-3,5-bis(hydroxymethyl)-4-(1-hydroxyvinyl)-2,8-dioxabicyclo[3.2.1]oct-1-yl]propanal

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID8752706

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

3-[(1S,3R,4R,5R,6R,7R)-6,7-Bis(benzyloxy)-4-hydroxy-3,5-bis(hydroxymethyl)-4-(1-hydroxyvinyl)-2,8-dioxabicyclo[3.2.1]oct-1-yl]propanal [ACD/IUPAC Name]
3-[(1S,3R,4R,5R,6R,7R)-6,7-Bis(benzyloxy)-4-hydroxy-3,5-bis(hydroxymethyl)-4-(1-hydroxyvinyl)-2,8-dioxabicyclo[3.2.1]oct-1-yl]propanal [German] [ACD/IUPAC Name]
3-[(1S,3R,4R,5R,6R,7R)-6,7-Bis(benzyloxy)-4-hydroxy-3,5-bis(hydroxyméthyl)-4-(1-hydroxyvinyl)-2,8-dioxabicyclo[3.2.1]oct-1-yl]propanal [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: 726.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 242.3±26.4 °C
Index of Refraction: 1.629
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 771.40
ACD/KOC (pH 5.5): 4057.99
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 769.46
ACD/KOC (pH 7.4): 4047.79
Polar Surface Area: 135 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 365.3±5.0 cm3

Click to predict properties on the Chemicalize site


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