ChemSpider 2D Image | (3S,4R,5R,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-one (non-preferred name) | C7H12O7

(3S,4R,5R,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-one (non-preferred name)

  • Molecular FormulaC7H12O7
  • Average mass208.166 Da
  • Monoisotopic mass208.058304 Da
  • ChemSpider ID34997631

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,4R,5R,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-on (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4R,5R,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-one (non-preferred name) [ACD/IUPAC Name]
(3S,4R,5R,6R)-6-[(1S)-1,2-Dihydroxyéthyl]-3,4,5-trihydroxytétrahydro-2H-pyran-2-one (non-preferred name) [French] [ACD/IUPAC Name]
52085-70-8 [RN]
D-Glycero-D-ido-heptono-δ-lactone

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

Density: 1.8±0.1 g/cm3
Boiling Point: 540.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 225.3±20.8 °C
Index of Refraction: 1.644
Molar Refractivity: 41.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.07
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 118.3±3.0 dyne/cm
Molar Volume: 115.6±3.0 cm3

Click to predict properties on the Chemicalize site


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