Found 1 result

Search term: NDQBMXWVTZAYEK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R)-1,4-Anhydro-2,3-dideoxy-1-(2-ethoxy-2-oxoethyl)-D-threo-hexitol | C10H18O5

(1R)-1,4-Anhydro-2,3-dideoxy-1-(2-ethoxy-2-oxoethyl)-D-threo-hexitol

  • Molecular FormulaC10H18O5
  • Average mass218.247 Da
  • Monoisotopic mass218.115417 Da
  • ChemSpider ID30992559

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R)-1,4-Anhydro-2,3-dideoxy-1-(2-ethoxy-2-oxoethyl)-D-threo-hexitol [ACD/IUPAC Name]
(1R)-1,4-Anhydro-2,3-didesoxy-1-(2-ethoxy-2-oxoethyl)-D-threo-hexitol [German] [ACD/IUPAC Name]
(1R)-1,4-Anhydro-2,3-didésoxy-1-(2-éthoxy-2-oxoéthyl)-D-thréo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Octonic acid, 3,6-anhydro-2,4,5-trideoxy-, ethyl ester [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: 361.9±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.3±6.0 kJ/mol
Flash Point: 138.9±13.1 °C
Index of Refraction: 1.483
Molar Refractivity: 52.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.17
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.17
Polar Surface Area: 76 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 184.4±3.0 cm3

Click to predict properties on the Chemicalize site


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