Found 1 result

Search term: O=C(O)[C@@]1(O)C[C@@H](O)[C@@H](O)[C@@H](CCO)O1 (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | 3-Deoxy-6-(2-hydroxyethyl)-alpha-D-threo-hex-2-ulopyranosonic acid | C8H14O7

3-Deoxy-6-(2-hydroxyethyl)-α-D-threo-hex-2-ulopyranosonic acid

  • Molecular FormulaC8H14O7
  • Average mass222.193 Da
  • Monoisotopic mass222.073959 Da
  • ChemSpider ID74176758

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-Deoxy-6-(2-hydroxyethyl)-α-D-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
3-Desoxy-6-(2-hydroxyethyl)-α-D-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide 3-désoxy-6-(2-hydroxyéthyl)-α-D-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
α-D-threo-2-Octulopyranosonic acid, 3,7-dideoxy-, (6ξ)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 542.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.4±6.0 kJ/mol
Flash Point: 221.9±23.6 °C
Index of Refraction: 1.606
Molar Refractivity: 46.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -5.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 97.3±3.0 dyne/cm
Molar Volume: 134.2±3.0 cm3

Click to predict properties on the Chemicalize site


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