ChemSpider 2D Image | (1R)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(phenylethynyl)-D-glucitol | C35H34O5

(1R)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(phenylethynyl)-D-glucitol

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID9159519

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(phenylethinyl)-D-glucitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(phenylethynyl)-D-glucitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(phényléthynyl)-D-glucitol [French] [ACD/IUPAC Name]
D-glycero-L-gulo-Oct-7-ynitol, 2,6-anhydro-7,8-dideoxy-8-phenyl-1,3,4-tris-O-(phenylmethyl)- [ACD/Index Name]
(2R,3S,4R,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-2-(2-phenylethynyl)oxan-3-ol
200621-39-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 690.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 156.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.65
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 402566.75
ACD/KOC (pH 5.5): 357697.13
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 402564.53
ACD/KOC (pH 7.4): 357695.16
Polar Surface Area: 57 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 435.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement