3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

C7H8O7 — CID 5316316

IUPAC3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
SMILESO=C(O)C1=CC(O)C(O)C(C(=O)O)O1
InChIInChI=1S/C7H8O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1-2,4-5,8-9H,(H,10,11)(H,12,13)
InChIKeyKUKCUROTFRBUNU-UHFFFAOYSA-N
MW204.13 g/mol
LogP-1.84
Rot. Bonds2

About 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid

3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid (PubChem CID 5316316) has the molecular formula C7H8O7 and a molecular weight of 204.13 g/mol. Its IUPAC name is 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
PubChem CID5316316
Molecular FormulaC7H8O7
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
SMILESO=C(O)C1=CC(O)C(O)C(C(=O)O)O1
InChIInChI=1S/C7H8O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1-2,4-5,8-9H,(H,10,11)(H,12,13)
InChIKeyKUKCUROTFRBUNU-UHFFFAOYSA-N
XLogP-1.84
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid?
The IUPAC name of 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid (CID 5316316) is 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid.
What is the SMILES notation for 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid?
The canonical SMILES for 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid is O=C(O)C1=CC(O)C(O)C(C(=O)O)O1.
What is the InChIKey of 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid?
The InChIKey is KUKCUROTFRBUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1-2,4-5,8-9H,(H,10,11)(H,12,13).
What are the key properties of 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid?
3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid has a molecular weight of 204.13 g/mol, XLogP of -1.84, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid is sourced from PubChem (CID 5316316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).