4,5-dihydroxy-1,3-dioxan-2-one

C4H6O5 — CID 139816851

IUPAC4,5-dihydroxy-1,3-dioxan-2-one
SMILESO=C1OCC(O)C(O)O1
InChIInChI=1S/C4H6O5/c5-2-1-8-4(7)9-3(2)6/h2-3,5-6H,1H2
InChIKeyBRUBLNSZYBGQRP-UHFFFAOYSA-N
MW134.09 g/mol
LogP-1.17
Rot. Bonds

About 4,5-dihydroxy-1,3-dioxan-2-one

4,5-dihydroxy-1,3-dioxan-2-one (PubChem CID 139816851) has the molecular formula C4H6O5 and a molecular weight of 134.09 g/mol. Its IUPAC name is 4,5-dihydroxy-1,3-dioxan-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-1,3-dioxan-2-one
PubChem CID139816851
Molecular FormulaC4H6O5
Molecular Weight134.09 g/mol
Exact Mass134.02
IUPAC Name4,5-dihydroxy-1,3-dioxan-2-one
SMILESO=C1OCC(O)C(O)O1
InChIInChI=1S/C4H6O5/c5-2-1-8-4(7)9-3(2)6/h2-3,5-6H,1H2
InChIKeyBRUBLNSZYBGQRP-UHFFFAOYSA-N
XLogP-1.17
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1,3-dioxan-2-one?
The IUPAC name of 4,5-dihydroxy-1,3-dioxan-2-one (CID 139816851) is 4,5-dihydroxy-1,3-dioxan-2-one.
What is the SMILES notation for 4,5-dihydroxy-1,3-dioxan-2-one?
The canonical SMILES for 4,5-dihydroxy-1,3-dioxan-2-one is O=C1OCC(O)C(O)O1.
What is the InChIKey of 4,5-dihydroxy-1,3-dioxan-2-one?
The InChIKey is BRUBLNSZYBGQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5/c5-2-1-8-4(7)9-3(2)6/h2-3,5-6H,1H2.
What are the key properties of 4,5-dihydroxy-1,3-dioxan-2-one?
4,5-dihydroxy-1,3-dioxan-2-one has a molecular weight of 134.09 g/mol, XLogP of -1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1,3-dioxan-2-one is sourced from PubChem (CID 139816851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).