3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate

C6H7O5- — CID 20686763

IUPAC3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESO=C([O-])C1=CC(O)C(O)CO1
InChIInChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/p-1
InChIKeyGQECVRZDTXJRPX-UHFFFAOYSA-M
MW159.12 g/mol
LogP-2.63
Rot. Bonds1

About 3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate

3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 20686763) has the molecular formula C6H7O5- and a molecular weight of 159.12 g/mol. Its IUPAC name is 3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Name3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID20686763
Molecular FormulaC6H7O5-
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Name3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESO=C([O-])C1=CC(O)C(O)CO1
InChIInChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/p-1
InChIKeyGQECVRZDTXJRPX-UHFFFAOYSA-M
XLogP-2.63
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-2.63
H-Bond Donors ≤ 52
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-6-carboxylate?
The IUPAC name of 3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate (CID 20686763) is 3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for 3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for 3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate is O=C([O-])C1=CC(O)C(O)CO1.
What is the InChIKey of 3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is GQECVRZDTXJRPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/p-1.
What are the key properties of 3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate?
3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 159.12 g/mol, XLogP of -2.63, 1 rotatable bonds, 2 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-6-carboxylate is sourced from PubChem (CID 20686763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).