3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one

C6H8O5 — CID 22593255

IUPAC3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one
SMILESO=C1C(O)=COC(CO)C1O
InChIInChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2
InChIKeyCLDKGBMTBWSEPC-UHFFFAOYSA-N
MW160.12 g/mol
LogP-1.29
Rot. Bonds1

About 3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one

3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one (PubChem CID 22593255) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one
PubChem CID22593255
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one
SMILESO=C1C(O)=COC(CO)C1O
InChIInChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2
InChIKeyCLDKGBMTBWSEPC-UHFFFAOYSA-N
XLogP-1.29
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one?
The IUPAC name of 3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one (CID 22593255) is 3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one is O=C1C(O)=COC(CO)C1O.
What is the InChIKey of 3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one?
The InChIKey is CLDKGBMTBWSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2.
What are the key properties of 3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one?
3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one has a molecular weight of 160.12 g/mol, XLogP of -1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 22593255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).