ChemSpider 2D Image | (1R)-1-(4-Acetoxybutyl)-1,5-anhydro-3,4,6-tri-O-benzyl-D-glucitol | C33H40O7

(1R)-1-(4-Acetoxybutyl)-1,5-anhydro-3,4,6-tri-O-benzyl-D-glucitol

  • Molecular FormulaC33H40O7
  • Average mass548.667 Da
  • Monoisotopic mass548.277405 Da
  • ChemSpider ID9596334

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1-(4-Acetoxybutyl)-1,5-anhydro-3,4,6-tri-O-benzyl-D-glucitol [ACD/IUPAC Name]
(1R)-1-(4-Acetoxybutyl)-1,5-anhydro-3,4,6-tri-O-benzyl-D-glucitol [German] [ACD/IUPAC Name]
(1R)-1-(4-Acétoxybutyl)-1,5-anhydro-3,4,6-tri-O-benzyl-D-glucitol [French] [ACD/IUPAC Name]
D-glycero-L-gulo-Decitol, 2,6-anhydro-7,8,9-trideoxy-1,3,4-tris-O-(phenylmethyl)-, 10-acetate [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: 661.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 206.0±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 153.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49839.61
ACD/KOC (pH 5.5): 80187.40
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49839.55
ACD/KOC (pH 7.4): 80187.31
Polar Surface Area: 83 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 461.3±5.0 cm3

Click to predict properties on the Chemicalize site


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