6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C6H12O6 — CID 206

IUPAC6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOCC1OC(O)C(O)C(O)C1O
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-3.22
Rot. Bonds1

About 6-(hydroxymethyl)oxane-2,3,4,5-tetrol

6-(hydroxymethyl)oxane-2,3,4,5-tetrol (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 Name6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID206
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOCC1OC(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
InChIKeyWQZGKKKJIJFFOK-UHFFFAOYSA-N
XLogP-3.22
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.22
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 6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of 6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 206) is 6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for 6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for 6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OCC1OC(O)C(O)C(O)C1O.
What is the InChIKey of 6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
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 6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 180.16 g/mol, XLogP of -3.22, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).