(2S,6R)-oxane-2,6-dicarboxylic acid

C7H10O5 — CID 22804348

IUPAC(2S,6R)-oxane-2,6-dicarboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H](C(=O)O)O1
InChIInChI=1S/C7H10O5/c8-6(9)4-2-1-3-5(12-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+
InChIKeyVDTRTSOIXGFBEZ-SYDPRGILSA-N
MW174.15 g/mol
LogP0.09
Rot. Bonds2

About (2S,6R)-oxane-2,6-dicarboxylic acid

(2S,6R)-oxane-2,6-dicarboxylic acid (PubChem CID 22804348) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (2S,6R)-oxane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(2S,6R)-oxane-2,6-dicarboxylic acid
PubChem CID22804348
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(2S,6R)-oxane-2,6-dicarboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H](C(=O)O)O1
InChIInChI=1S/C7H10O5/c8-6(9)4-2-1-3-5(12-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+
InChIKeyVDTRTSOIXGFBEZ-SYDPRGILSA-N
XLogP0.09
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
6-cyclopentyloxane-2-carboxylic acid
CID 130585212
(2S,5S)-5-carbamoyloxolane-2-carboxylic acid
CID 97358936
(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
oxolane-2-carboxylic acid;silver
CID 160678639
(2R)-5-methyloxolane-2-carboxylic acid
CID 58055098
(2R,5S)-5-(1-cyclohexylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945182
hafnium;bis(oxolane-2-carboxylic acid);tetrahydrochloride
CID 173287990
6-oxabicyclo[3.1.1]heptane-7-carboxylic acid
CID 142745301
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
CID 131204169
5-(oxolan-2-yl)oxolane-2-carboxylic acid
CID 71756387

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-oxane-2,6-dicarboxylic acid?
The IUPAC name of (2S,6R)-oxane-2,6-dicarboxylic acid (CID 22804348) is (2S,6R)-oxane-2,6-dicarboxylic acid.
What is the SMILES notation for (2S,6R)-oxane-2,6-dicarboxylic acid?
The canonical SMILES for (2S,6R)-oxane-2,6-dicarboxylic acid is O=C(O)[C@@H]1CCC[C@H](C(=O)O)O1.
What is the InChIKey of (2S,6R)-oxane-2,6-dicarboxylic acid?
The InChIKey is VDTRTSOIXGFBEZ-SYDPRGILSA-N. The full InChI is InChI=1S/C7H10O5/c8-6(9)4-2-1-3-5(12-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+.
What are the key properties of (2S,6R)-oxane-2,6-dicarboxylic acid?
(2S,6R)-oxane-2,6-dicarboxylic acid has a molecular weight of 174.15 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-oxane-2,6-dicarboxylic acid is sourced from PubChem (CID 22804348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).