3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one

C6H8O5 — CID 45083338

IUPAC3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one
SMILESCOC1=C(O)C(=O)C(O)CO1
InChIInChI=1S/C6H8O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3,7,9H,2H2,1H3
InChIKeyDJWMHWRCRMAKJQ-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.68
Rot. Bonds1

About 3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one

3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one (PubChem CID 45083338) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one
PubChem CID45083338
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one
SMILESCOC1=C(O)C(=O)C(O)CO1
InChIInChI=1S/C6H8O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3,7,9H,2H2,1H3
InChIKeyDJWMHWRCRMAKJQ-UHFFFAOYSA-N
XLogP-0.68
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one?
The IUPAC name of 3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one (CID 45083338) is 3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one.
What is the SMILES notation for 3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one?
The canonical SMILES for 3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one is COC1=C(O)C(=O)C(O)CO1.
What is the InChIKey of 3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one?
The InChIKey is DJWMHWRCRMAKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3,7,9H,2H2,1H3.
What are the key properties of 3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one?
3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one has a molecular weight of 160.12 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-6-methoxy-2,3-dihydropyran-4-one is sourced from PubChem (CID 45083338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).