ChemSpider 2D Image | Octyl 2,3,6-tri-O-methyl-5-O-(2,3,5,6-tetra-O-acetyl-beta-D-erythro-hexofuranosyl)-alpha-L-threo-hexofuranoside | C31H52O15

Octyl 2,3,6-tri-O-methyl-5-O-(2,3,5,6-tetra-O-acetyl-β-D-erythro-hexofuranosyl)-α-L-threo-hexofuranoside

  • Molecular FormulaC31H52O15
  • Average mass664.736 Da
  • Monoisotopic mass664.330627 Da
  • ChemSpider ID444456

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

Octyl 2,3,6-tri-O-methyl-5-O-(2,3,5,6-tetra-O-acetyl-β-D-erythro-hexofuranosyl)-α-L-threo-hexofuranoside [ACD/IUPAC Name]
α-L-threo-Hexofuranoside, octyl 2,3,6-tri-O-methyl-5-O-(2,3,5,6-tetra-O-acetyl-β-D-erythro-hexofuranosyl)- [ACD/Index 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: 669.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 272.2±31.5 °C
Index of Refraction: 1.490
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 956.09
ACD/KOC (pH 5.5): 4731.96
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 956.09
ACD/KOC (pH 7.4): 4731.96
Polar Surface Area: 170 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 556.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement