Hexose

C6H12O6 — CID 206

IUPAC6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESC(C1C(C(C(C(O1)O)O)O)O)O
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
InChIKeyWQZGKKKJIJFFOK-UHFFFAOYSA-N
MW180.16 g/mol
LogP-2.60
Rot. Bonds1

About Hexose

Hexose (PubChem CID 206) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is 6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound NameHexose
PubChem CID206
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESC(C1C(C(C(C(O1)O)O)O)O)O
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
InChIKeyWQZGKKKJIJFFOK-UHFFFAOYSA-N
XLogP-2.60
TPSA110.00 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity151

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Sucrose
CID 5988
Lactitol
CID 157355
D-Fructose
CID 2723872
D-Xylose
CID 135191
D-Glucose
CID 5793
D-Galactose
CID 6036
Trehalose
CID 7427
Lactulose
CID 11333
D-Tagatose
CID 439312
Beta-D-Glucose
CID 64689
alpha-D-lactose
CID 84571
beta-L-arabinopyranose
CID 439764

Frequently Asked Questions

What is the IUPAC name of Hexose?
The IUPAC name of Hexose (CID 206) is 6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for Hexose?
The canonical SMILES for Hexose is C(C1C(C(C(C(O1)O)O)O)O)O.
What is the InChIKey of Hexose?
The InChIKey is WQZGKKKJIJFFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2.
What are the key properties of Hexose?
Hexose has a molecular weight of 180.16 g/mol, XLogP of -2.60, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Hexose is sourced from PubChem (CID 206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).