(2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid

C8H8O9 — CID 98108676

IUPAC(2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid
SMILESO=C(O)[C@@H]1[C@H](C(=O)O)[C@@H](C(=O)O)O[C@@H]1C(=O)O
InChIInChI=1S/C8H8O9/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t1-,2+,3-,4-/m0/s1
InChIKeyUFOIOXZLTXNHQH-YCAKELIYSA-N
MW248.14 g/mol
LogP-1.68
Rot. Bonds4

About (2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid

(2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid (PubChem CID 98108676) has the molecular formula C8H8O9 and a molecular weight of 248.14 g/mol. Its IUPAC name is (2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid
PubChem CID98108676
Molecular FormulaC8H8O9
Molecular Weight248.14 g/mol
Exact Mass248.02
IUPAC Name(2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid
SMILESO=C(O)[C@@H]1[C@H](C(=O)O)[C@@H](C(=O)O)O[C@@H]1C(=O)O
InChIInChI=1S/C8H8O9/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t1-,2+,3-,4-/m0/s1
InChIKeyUFOIOXZLTXNHQH-YCAKELIYSA-N
XLogP-1.68
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride
CID 66750488
2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate
CID 158189516
oxirane-2,3-dicarboxylic acid;palladium
CID 176654589
CID 173010882
CID 173010882
potassium (2S,3S)-oxirane-2,3-dicarboxylic acid
CID 10197893
4-methyloxetane-2,3-dicarboxylic acid
CID 89315137
trisodium;hydride;oxirane-2,3-dicarboxylic acid
CID 175118143
3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
5-(1-aminocyclopentanecarbonyl)oxycarbonyloxolane-2,3,4-tricarboxylic acid
CID 57267601
calcium bis((2R,3S)-3-carboxyoxirane-2-carboxylate)
CID 88800397
(1S,2R,4S,5R,6R,7R)-3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid
CID 27817569
3-prop-2-enoyloxirane-2-carboxylic acid
CID 141051564

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid?
The IUPAC name of (2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid (CID 98108676) is (2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid.
What is the SMILES notation for (2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid?
The canonical SMILES for (2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid is O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H](C(=O)O)O[C@@H]1C(=O)O.
What is the InChIKey of (2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid?
The InChIKey is UFOIOXZLTXNHQH-YCAKELIYSA-N. The full InChI is InChI=1S/C8H8O9/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t1-,2+,3-,4-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid?
(2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid has a molecular weight of 248.14 g/mol, XLogP of -1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid is sourced from PubChem (CID 98108676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).