ChemSpider 2D Image | Threose triacetate | C10H14O7

Threose triacetate

  • Molecular FormulaC10H14O7
  • Average mass246.214 Da
  • Monoisotopic mass246.073959 Da
  • ChemSpider ID20037531

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-Acetoxy-4-oxo-1,2-butandiyl-diacetat [German] [ACD/IUPAC Name]
(2R,3S)-3-Acetoxy-4-oxo-1,2-butanediyl diacetate [ACD/IUPAC Name]
114006-00-7 [RN]
Butanal, 2,3,4-tris(acetyloxy)-, (2S,3R)- [ACD/Index Name]
Diacétate de (2R,3S)-3-acétoxy-4-oxo-1,2-butanediyle [French] [ACD/IUPAC Name]
D-threose triacetate
Threose triacetate
[(1R,2S)-2-acetoxy-1-(acetoxymethyl)-3-oxo-propyl] acetate
[(2R,3S)-1,3-diacetyloxy-4-oxobutan-2-yl] acetate
[(2R,3S)-1,3-diacetyloxy-4-oxo-butan-2-yl] ethanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

V71U1VJY4E [DBID]
UNII:V71U1VJY4E [DBID]
UNII-V71U1VJY4E [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 340.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 149.3±27.9 °C
Index of Refraction: 1.445
Molar Refractivity: 53.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.79
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.79
Polar Surface Area: 96 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 202.1±3.0 cm3

Click to predict properties on the Chemicalize site


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