ChemSpider 2D Image | 3,5-Dideoxy-6-(1,2,3-trihydroxypropyl)-alpha-L-glycero-hex-2-ulopyranosonic acid | C9H16O8

3,5-Dideoxy-6-(1,2,3-trihydroxypropyl)-α-L-glycero-hex-2-ulopyranosonic acid

  • Molecular FormulaC9H16O8
  • Average mass252.219 Da
  • Monoisotopic mass252.084518 Da
  • ChemSpider ID74181449

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

3,5-Dideoxy-6-(1,2,3-trihydroxypropyl)-α-L-glycero-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
3,5-Didesoxy-6-(1,2,3-trihydroxypropyl)-α-L-glycero-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide 3,5-didésoxy-6-(1,2,3-trihydroxypropyl)-α-L-glycéro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
α-L-glycero-2-Nonulopyranosonic acid, 3,5-dideoxy- [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: 654.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 260.0±25.0 °C
Index of Refraction: 1.629
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.02
ACD/LogD (pH 5.5): -5.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 110.1±3.0 dyne/cm
Molar Volume: 147.2±3.0 cm3

Click to predict properties on the Chemicalize site


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