ChemSpider 2D Image | (3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)(2-~13~C)tetrahydro-2H-pyran-2-one (non-preferred name) | C513CH10O6

(3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)(2-13C)tetrahydro-2H-pyran-2-one (non-preferred name)

  • Molecular FormulaC513CH10O6
  • Average mass179.133 Da
  • Monoisotopic mass179.051086 Da
  • ChemSpider ID111313117

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)(2-13C)tetrahydro-2H-pyran-2-on (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)(2-13C)tetrahydro-2H-pyran-2-one (non-preferred name) [ACD/IUPAC Name]
(3S,4R,5R,6S)-3,4,5-Trihydroxy-6-(hydroxyméthyl)(2-13C)tétrahydro-2H-pyran-2-one (non-preferred name) [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 35.8±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 98.4±3.0 dyne/cm
Molar Volume: 103.5±3.0 cm3

Click to predict properties on the Chemicalize site


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