ChemSpider 2D Image | (4R,5S,6S,7S)-4,5,6,7,8-Pentahydroxy-2-oxooctanoic acid | C8H14O8

(4R,5S,6S,7S)-4,5,6,7,8-Pentahydroxy-2-oxooctanoic acid

  • Molecular FormulaC8H14O8
  • Average mass238.192 Da
  • Monoisotopic mass238.068863 Da
  • ChemSpider ID67038972

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,5S,6S,7S)-4,5,6,7,8-Pentahydroxy-2-oxooctanoic acid [ACD/IUPAC Name]
(4R,5S,6S,7S)-4,5,6,7,8-Pentahydroxy-2-oxooctansäure [German] [ACD/IUPAC Name]
Acide (4R,5S,6S,7S)-4,5,6,7,8-pentahydroxy-2-oxooctanoïque [French] [ACD/IUPAC Name]
L-gluco-2-Octulosonic acid, 3-deoxy- [ACD/Index Name]
3-deoxy-l-gluco-octulosonic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 621.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 343.8±28.0 °C
Index of Refraction: 1.598
Molar Refractivity: 48.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -4.27
ACD/LogD (pH 5.5): -6.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 103.1±3.0 dyne/cm
Molar Volume: 141.4±3.0 cm3

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