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Search term: WQZGKKKJIJFFOK-KWCOIAHCEJ
Found by InChIKey (full match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 397428
Empirical Formula: C511CH12O6
Molecular Weight: 179.1566
Nominal Mass: 179 Da
Average Mass: 179.1566 Da
Monoisotopic Mass: 179.074821 Da
Systematic Name: 6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
SMILES: C(C1C(C(C(C(O1)O)O)O)O)O
InChI: InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/i6-1
InChIKey: WQZGKKKJIJFFOK-KWCOIAHCEJ
Std. InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/i6-1
Std. InChIKey: WQZGKKKJIJFFOK-KWCOIAHCSA-N
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ACD/LogP: # of Rule of 5 Violations:
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: #H bond donors:
#Freely Rotating Bonds: Polar Surface Area: 2
Index of Refraction: 1.635 Molar Refractivity: 37.25 cm3
Molar Volume: 104 cm3 Polarizability: 14.76 10-24cm3
Surface Tension: 81.7 dyne/cm Density: 1.732 g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C