3,4-dihydroxyoxolane-2,5-dicarboxylic acid

C6H8O7 — CID 24781906

IUPAC3,4-dihydroxyoxolane-2,5-dicarboxylic acid
SMILESO=C(O)C1OC(C(=O)O)C(O)C1O
InChIInChI=1S/C6H8O7/c7-1-2(8)4(6(11)12)13-3(1)5(9)10/h1-4,7-8H,(H,9,10)(H,11,12)
InChIKeyOMEFLKJMLJSDTO-UHFFFAOYSA-N
MW192.12 g/mol
LogP-2.36
Rot. Bonds2

About 3,4-dihydroxyoxolane-2,5-dicarboxylic acid

3,4-dihydroxyoxolane-2,5-dicarboxylic acid (PubChem CID 24781906) has the molecular formula C6H8O7 and a molecular weight of 192.12 g/mol. Its IUPAC name is 3,4-dihydroxyoxolane-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,4-dihydroxyoxolane-2,5-dicarboxylic acid
PubChem CID24781906
Molecular FormulaC6H8O7
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name3,4-dihydroxyoxolane-2,5-dicarboxylic acid
SMILESO=C(O)C1OC(C(=O)O)C(O)C1O
InChIInChI=1S/C6H8O7/c7-1-2(8)4(6(11)12)13-3(1)5(9)10/h1-4,7-8H,(H,9,10)(H,11,12)
InChIKeyOMEFLKJMLJSDTO-UHFFFAOYSA-N
XLogP-2.36
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 89252286
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
(3R,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 91138099
(2S,3S,4S,5R,6S)-6-bromo-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 100973865
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 54302978
potassium (2S,3S)-oxirane-2,3-dicarboxylic acid
CID 10197893
CID 173010882
CID 173010882
oxirane-2,3-dicarboxylic acid;palladium
CID 176654589
(3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
CID 153382641
trisodium;hydride;oxirane-2,3-dicarboxylic acid
CID 175118143
(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylic acid
CID 175420353

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxyoxolane-2,5-dicarboxylic acid?
The IUPAC name of 3,4-dihydroxyoxolane-2,5-dicarboxylic acid (CID 24781906) is 3,4-dihydroxyoxolane-2,5-dicarboxylic acid.
What is the SMILES notation for 3,4-dihydroxyoxolane-2,5-dicarboxylic acid?
The canonical SMILES for 3,4-dihydroxyoxolane-2,5-dicarboxylic acid is O=C(O)C1OC(C(=O)O)C(O)C1O.
What is the InChIKey of 3,4-dihydroxyoxolane-2,5-dicarboxylic acid?
The InChIKey is OMEFLKJMLJSDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7/c7-1-2(8)4(6(11)12)13-3(1)5(9)10/h1-4,7-8H,(H,9,10)(H,11,12).
What are the key properties of 3,4-dihydroxyoxolane-2,5-dicarboxylic acid?
3,4-dihydroxyoxolane-2,5-dicarboxylic acid has a molecular weight of 192.12 g/mol, XLogP of -2.36, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxyoxolane-2,5-dicarboxylic acid is sourced from PubChem (CID 24781906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).