Found 1 result

Search term: OCC1=C[C@@H](O)[C@H](O)[C@H](O)O1 (Found by conversion of search term to chemical structure (skeleton match))
ChemSpider 2D Image | (3S,4S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name) | C6H10O5

(3S,4S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)

  • Molecular FormulaC6H10O5
  • Average mass162.141 Da
  • Monoisotopic mass162.052826 Da
  • ChemSpider ID61399591

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,4S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-on (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name) [ACD/IUPAC Name]
(3S,4S,6S)-3,4-Dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-one (non-preferred name) [French] [ACD/IUPAC Name]
1932600-27-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 365.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.8±6.0 kJ/mol
Flash Point: 158.2±12.8 °C
Index of Refraction: 1.555
Molar Refractivity: 34.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 87 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 106.5±3.0 cm3

Click to predict properties on the Chemicalize site


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