ChemSpider 2D Image | (1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-ethynyl-D-mannitol | C36H36O5

(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-ethynyl-D-mannitol

  • Molecular FormulaC36H36O5
  • Average mass548.668 Da
  • Monoisotopic mass548.256287 Da
  • ChemSpider ID8920540

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-ethinyl-D-mannitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-ethynyl-D-mannitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,4,6-tétra-O-benzyl-1-éthynyl-D-mannitol [French] [ACD/IUPAC Name]
D-glycero-D-galacto-Oct-1-ynitol, 3,7-anhydro-1,2-dideoxy-4,5,6,8-tetrakis-O-(phenylmethyl)- [ACD/Index Name]
168253-07-4 [RN]
2-C-(2,3,4,6-Tetra-O-benzyl-b-D-glucopyranosyl) ethyne

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 246.6±31.4 °C
Index of Refraction: 1.613
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.41
ACD/LogD (pH 5.5): 7.86
ACD/BCF (pH 5.5): 553051.94
ACD/KOC (pH 5.5): 448996.69
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 553051.94
ACD/KOC (pH 7.4): 448996.69
Polar Surface Area: 46 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 462.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement