ChemSpider 2D Image | 1,3-Dihydroxy-2-propanyl beta-D-threo-hexopyranoside | C9H18O8

1,3-Dihydroxy-2-propanyl β-D-threo-hexopyranoside

  • Molecular FormulaC9H18O8
  • Average mass254.234 Da
  • Monoisotopic mass254.100174 Da
  • ChemSpider ID58784107

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1,3-Dihydroxy-2-propanyl β-D-threo-hexopyranoside [ACD/IUPAC Name]
1,3-Dihydroxy-2-propanyl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-thréo-Hexopyranoside de 1,3-dihydroxy-2-propanyle [French] [ACD/IUPAC Name]
β-D-threo-Hexopyranoside, 2-hydroxy-1-(hydroxymethyl)ethyl [ACD/Index Name]
(2R,4S,5S)-2-(1,3-dihydroxypropan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
10588-30-4 [RN]
2-(??-glucosyl)glycerol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 606.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.4±6.0 kJ/mol
Flash Point: 320.4±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 54.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.51
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 88.4±5.0 dyne/cm
Molar Volume: 160.3±5.0 cm3

Click to predict properties on the Chemicalize site


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