ChemSpider 2D Image | (3R,4S,5S,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 2-oxopropanoate (non-preferred name) | C9H14O9

(3R,4S,5S,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 2-oxopropanoate (non-preferred name)

  • Molecular FormulaC9H14O9
  • Average mass266.202 Da
  • Monoisotopic mass266.063782 Da
  • ChemSpider ID67031299

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,4S,5S,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 2-oxopropanoate (non-preferred name) [ACD/IUPAC Name]
(3R,4S,5S,6R)-2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl-2-oxopropanoat (non-preferred name) [German] [ACD/IUPAC Name]
2-Oxopropanoate de (3R,4S,5S,6R)-2,3,4,5-tétrahydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle (non-preferred name) [French] [ACD/IUPAC Name]
glucose pyruvate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 507.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.5±6.0 kJ/mol
Flash Point: 201.2±23.6 °C
Index of Refraction: 1.595
Molar Refractivity: 53.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -2.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 154 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 93.5±5.0 dyne/cm
Molar Volume: 156.0±5.0 cm3

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