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Search term: WQZGKKKJIJFFOK-NGQUAYEJFL
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Inherent Properties, Identifiers and References
ChemSpider ID: 397426
Empirical Formula: 11C6H12O6
Molecular Weight: 174.1603
Nominal Mass: 174 Da
Average Mass: 174.1603 Da
Monoisotopic Mass: 174.131986 Da
Systematic Name: (3R,4S,5S,6R)-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/t2-,3-,4​+,5-,6?/m1/s1/i1-1,2-1,3-1,4-1,5-1,6-1
InChIKey: WQZGKKKJIJFFOK-NGQUAYEJFL
Std. InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,​4+,5-,6?/m1/s1/i1-1,2-1,3-1,4-1,5-1,6-1
Std. InChIKey: WQZGKKKJIJFFOK-NGQUAYEJSA-N
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

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