5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol

C6H12O5 — CID 560157

IUPAC5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol
SMILESCOC1C(O)OC(CO)C1O
InChIInChI=1S/C6H12O5/c1-10-5-4(8)3(2-7)11-6(5)9/h3-9H,2H2,1H3
InChIKeySTGXGJRRAJKJRG-UHFFFAOYSA-N
MW164.16 g/mol
LogP-1.93
Rot. Bonds2

About 5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol

5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol (PubChem CID 560157) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol
PubChem CID560157
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol
SMILESCOC1C(O)OC(CO)C1O
InChIInChI=1S/C6H12O5/c1-10-5-4(8)3(2-7)11-6(5)9/h3-9H,2H2,1H3
InChIKeySTGXGJRRAJKJRG-UHFFFAOYSA-N
XLogP-1.93
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
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-(hydroxymethyl)-3-methoxyoxolane-2,4-diol?
The IUPAC name of 5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol (CID 560157) is 5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol.
What is the SMILES notation for 5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol?
The canonical SMILES for 5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol is COC1C(O)OC(CO)C1O.
What is the InChIKey of 5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol?
The InChIKey is STGXGJRRAJKJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5/c1-10-5-4(8)3(2-7)11-6(5)9/h3-9H,2H2,1H3.
What are the key properties of 5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol?
5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol has a molecular weight of 164.16 g/mol, XLogP of -1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-methoxyoxolane-2,4-diol is sourced from PubChem (CID 560157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).