ChemSpider 2D Image | (3R,4R,5R)-2-Acetoxy-5-[(1S)-1-(benzoyloxy)-2-propyn-1-yl]tetrahydrofuran-3,4-diyl dibenzoate | C30H24O9

(3R,4R,5R)-2-Acetoxy-5-[(1S)-1-(benzoyloxy)-2-propyn-1-yl]tetrahydrofuran-3,4-diyl dibenzoate

  • Molecular FormulaC30H24O9
  • Average mass528.506 Da
  • Monoisotopic mass528.142029 Da
  • ChemSpider ID9343615

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,4R,5R)-2-Acetoxy-5-[(1S)-1-(benzoyloxy)-2-propin-1-yl]tetrahydrofuran-3,4-diyl-dibenzoat [German] [ACD/IUPAC Name]
(3R,4R,5R)-2-Acetoxy-5-[(1S)-1-(benzoyloxy)-2-propyn-1-yl]tetrahydrofuran-3,4-diyl dibenzoate [ACD/IUPAC Name]
Dibenzoate de (3R,4R,5R)-2-acétoxy-5-[(1S)-1-(benzoyloxy)-2-propyn-1-yl]tétrahydrofurane-3,4-diyle [French] [ACD/IUPAC Name]
L-talo-Hept-6-ynofuranose, 6,7-dideoxy-, 1-acetate 2,3,5-tribenzoate [ACD/Index 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: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 278.3±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 886.08
ACD/KOC (pH 5.5): 4481.28
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 886.08
ACD/KOC (pH 7.4): 4481.28
Polar Surface Area: 114 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 391.1±5.0 cm3

Click to predict properties on the Chemicalize site


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