2,5-dihydroxyoxolane-2,5-dicarboxylic acid

C6H8O7 — CID 141312396

IUPAC2,5-dihydroxyoxolane-2,5-dicarboxylic acid
SMILESO=C(O)C1(O)CCC(O)(C(=O)O)O1
InChIInChI=1S/C6H8O7/c7-3(8)5(11)1-2-6(12,13-5)4(9)10/h11-12H,1-2H2,(H,7,8)(H,9,10)
InChIKeyCQGHRLAYBVCUON-UHFFFAOYSA-N
MW192.12 g/mol
LogP-1.66
Rot. Bonds2

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

2,5-dihydroxyoxolane-2,5-dicarboxylic acid (PubChem CID 141312396) has the molecular formula C6H8O7 and a molecular weight of 192.12 g/mol. Its IUPAC name is 2,5-dihydroxyoxolane-2,5-dicarboxylic acid.

Molecular Properties

Compound Name2,5-dihydroxyoxolane-2,5-dicarboxylic acid
PubChem CID141312396
Molecular FormulaC6H8O7
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name2,5-dihydroxyoxolane-2,5-dicarboxylic acid
SMILESO=C(O)C1(O)CCC(O)(C(=O)O)O1
InChIInChI=1S/C6H8O7/c7-3(8)5(11)1-2-6(12,13-5)4(9)10/h11-12H,1-2H2,(H,7,8)(H,9,10)
InChIKeyCQGHRLAYBVCUON-UHFFFAOYSA-N
XLogP-1.66
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 ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-2,5-dihydroxyoxolane-2-carboxylic acid
CID 57223591
1-(1-hydroxycyclopropyl)cyclopropane-1-carboxylic acid
CID 130756659
3-hydroxyoxetane-3-carboxylic acid
CID 84647752
2,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 18504511
4-amino-4-hydroxycyclohexane-1-carboxylic acid
CID 123288864
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid
CID 79425395
2,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
CID 59559143
(5R,6R)-6-(2-aminoethyl)-2,5-dihydroxyoxane-2-carboxylic acid
CID 155264162
CID 59879035
CID 59879035
cis-(1S,2R)-1,2-dichlorocyclobutane-1,2-dicarboxylic acid
CID 130618268
6-oxabicyclo[3.1.0]hexane-1-carboxylic acid
CID 45120305

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxyoxolane-2,5-dicarboxylic acid?
The IUPAC name of 2,5-dihydroxyoxolane-2,5-dicarboxylic acid (CID 141312396) is 2,5-dihydroxyoxolane-2,5-dicarboxylic acid.
What is the SMILES notation for 2,5-dihydroxyoxolane-2,5-dicarboxylic acid?
The canonical SMILES for 2,5-dihydroxyoxolane-2,5-dicarboxylic acid is O=C(O)C1(O)CCC(O)(C(=O)O)O1.
What is the InChIKey of 2,5-dihydroxyoxolane-2,5-dicarboxylic acid?
The InChIKey is CQGHRLAYBVCUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7/c7-3(8)5(11)1-2-6(12,13-5)4(9)10/h11-12H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of 2,5-dihydroxyoxolane-2,5-dicarboxylic acid?
2,5-dihydroxyoxolane-2,5-dicarboxylic acid has a molecular weight of 192.12 g/mol, XLogP of -1.66, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxyoxolane-2,5-dicarboxylic acid is sourced from PubChem (CID 141312396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).