ChemSpider 2D Image | (6S)-6-(Hydroxymethyl)-3-oxo-3,6-dihydro-2H-pyran-4-olate | C6H7O4

(6S)-6-(Hydroxymethyl)-3-oxo-3,6-dihydro-2H-pyran-4-olate

  • Molecular FormulaC6H7O4
  • Average mass143.118 Da
  • Monoisotopic mass143.034988 Da
  • ChemSpider ID26331371

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-(Hydroxymethyl)-3-oxo-3,6-dihydro-2H-pyran-4-olat [German] [ACD/IUPAC Name]
(6S)-6-(Hydroxymethyl)-3-oxo-3,6-dihydro-2H-pyran-4-olate [ACD/IUPAC Name]
(6S)-6-(Hydroxyméthyl)-3-oxo-3,6-dihydro-2H-pyran-4-olate [French] [ACD/IUPAC Name]
2H-Pyran-3(6H)-one, 4-hydroxy-6-(hydroxymethyl)-, ion(1-), (6S)- [ACD/Index Name]
ascopyrone M
ascopyrone M anion
ascopyrone M(1-)

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

Density:
Boiling Point: 395.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.7±6.0 kJ/mol
Flash Point: 175.6±21.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.83
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.90
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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