ChemSpider 2D Image | (6S)-3-Deoxy-6-(1,2-dihydroxyethyl)-beta-L-threo-hex-2-ulopyranosonic acid | C8H14O8

(6S)-3-Deoxy-6-(1,2-dihydroxyethyl)-β-L-threo-hex-2-ulopyranosonic acid

  • Molecular FormulaC8H14O8
  • Average mass238.192 Da
  • Monoisotopic mass238.068863 Da
  • ChemSpider ID26330038
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(6S)-3-Deoxy-6-(1,2-dihydroxyethyl)-β-L-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6S)-3-Desoxy-6-(1,2-dihydroxyethyl)-β-L-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6S)-3-désoxy-6-(1,2-dihydroxyéthyl)-β-L-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
α-D-galacto-2-Octulopyranosonic acid, 3-deoxy- [ACD/Index Name]
(2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
3-deoxy-D-manno-oct-2-ulosonic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 640.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±6.0 kJ/mol
Flash Point: 258.7±25.0 °C
Index of Refraction: 1.657
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.98
ACD/LogD (pH 5.5): -5.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 128.1±3.0 dyne/cm
Molar Volume: 129.8±3.0 cm3

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