ChemSpider 2D Image | (2S,3R,4R,5R)-3-Acetoxy-2,5-dihydroxy-1,6-dioxo-4-heptanyl acetate | C11H16O8

(2S,3R,4R,5R)-3-Acetoxy-2,5-dihydroxy-1,6-dioxo-4-heptanyl acetate

  • Molecular FormulaC11H16O8
  • Average mass276.240 Da
  • Monoisotopic mass276.084503 Da
  • ChemSpider ID32820435

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4R,5R)-3-Acetoxy-2,5-dihydroxy-1,6-dioxo-4-heptanyl acetate [ACD/IUPAC Name]
(2S,3R,4R,5R)-3-Acetoxy-2,5-dihydroxy-1,6-dioxo-4-heptanyl-acetat [German] [ACD/IUPAC Name]
34296-99-6 [RN]
Acétate de (2S,3R,4R,5R)-3-acétoxy-2,5-dihydroxy-1,6-dioxo-4-heptanyle [French] [ACD/IUPAC Name]
L-gulo-Heptos-6-ulose, 7-deoxy-, 3,4-diacetate [ACD/Index Name]
3,4-Di-O-acetyl-D-glucuronal methyl ester
D-Glucuronal 3,4-Diacetate Methyl Ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 468.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.3±6.0 kJ/mol
Flash Point: 178.1±22.2 °C
Index of Refraction: 1.486
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.63
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.63
Polar Surface Area: 127 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 208.0±3.0 cm3

Click to predict properties on the Chemicalize site


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