ChemSpider 2D Image | Ethyl 2,4-dideoxy-3,5-O-isopropylidene-D-erythro-hexonate | C11H20O5

Ethyl 2,4-dideoxy-3,5-O-isopropylidene-D-erythro-hexonate

  • Molecular FormulaC11H20O5
  • Average mass232.273 Da
  • Monoisotopic mass232.131073 Da
  • ChemSpider ID27472754

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

140235-40-1 [RN]
2,4-Didésoxy-3,5-O-isopropylidène-D-érythro-hexonate d'éthyle [French] [ACD/IUPAC Name]
D-erythro-Hexonic acid, 2,4-dideoxy-3,5-O-(1-methylethylidene)-, ethyl ester [ACD/Index Name]
Ethyl 2,4-dideoxy-3,5-O-isopropylidene-D-erythro-hexonate [ACD/IUPAC Name]
Ethyl-2,4-didesoxy-3,5-O-isopropyliden-D-erythro-hexonat [German] [ACD/IUPAC Name]
(3R,5S)-Ethyl-6-hydroxy-3,5-O-isopropylidene-3,5-dihydroxyhexanoate
ETHYL (3R,5S)-6-HYDROXY-3,5-O-ISO-PROPYLIDENE-3,5-DIHYDROXYHEXANOATE
Ethyl 2-((4R,6S)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 309.8±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.8±6.0 kJ/mol
Flash Point: 110.5±14.4 °C
Index of Refraction: 1.437
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.10
ACD/KOC (pH 5.5): 78.14
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.10
ACD/KOC (pH 7.4): 78.14
Polar Surface Area: 65 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 219.6±3.0 cm3

Click to predict properties on the Chemicalize site


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