5-methoxyoxane-2,3,4-triol

C6H12O5 — CID 560177

IUPAC5-methoxyoxane-2,3,4-triol
SMILESCOC1COC(O)C(O)C1O
InChIInChI=1S/C6H12O5/c1-10-3-2-11-6(9)5(8)4(3)7/h3-9H,2H2,1H3
InChIKeyVDTSWFBDTKNBSS-UHFFFAOYSA-N
MW164.16 g/mol
LogP-1.93
Rot. Bonds1

About 5-methoxyoxane-2,3,4-triol

5-methoxyoxane-2,3,4-triol (PubChem CID 560177) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-methoxyoxane-2,3,4-triol.

Molecular Properties

Compound Name5-methoxyoxane-2,3,4-triol
PubChem CID560177
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name5-methoxyoxane-2,3,4-triol
SMILESCOC1COC(O)C(O)C1O
InChIInChI=1S/C6H12O5/c1-10-3-2-11-6(9)5(8)4(3)7/h3-9H,2H2,1H3
InChIKeyVDTSWFBDTKNBSS-UHFFFAOYSA-N
XLogP-1.93
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyoxane-2,3,4-triol?
The IUPAC name of 5-methoxyoxane-2,3,4-triol (CID 560177) is 5-methoxyoxane-2,3,4-triol.
What is the SMILES notation for 5-methoxyoxane-2,3,4-triol?
The canonical SMILES for 5-methoxyoxane-2,3,4-triol is COC1COC(O)C(O)C1O.
What is the InChIKey of 5-methoxyoxane-2,3,4-triol?
The InChIKey is VDTSWFBDTKNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5/c1-10-3-2-11-6(9)5(8)4(3)7/h3-9H,2H2,1H3.
What are the key properties of 5-methoxyoxane-2,3,4-triol?
5-methoxyoxane-2,3,4-triol has a molecular weight of 164.16 g/mol, XLogP of -1.93, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyoxane-2,3,4-triol is sourced from PubChem (CID 560177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).