oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride

C8H12Cl4O9 — CID 66750488

IUPACoxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.O=C(O)C1OC(C(=O)O)C(C(=O)O)C1C(=O)O
InChIInChI=1S/C8H8O9.4ClH/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);4*1H
InChIKeyUBHRVFJFOSNSBK-UHFFFAOYSA-N
MW393.99 g/mol
LogP0.01
Rot. Bonds4

About oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride

oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride (PubChem CID 66750488) has the molecular formula C8H12Cl4O9 and a molecular weight of 393.99 g/mol. Its IUPAC name is oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride.

Molecular Properties

Compound Nameoxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride
PubChem CID66750488
Molecular FormulaC8H12Cl4O9
Molecular Weight393.99 g/mol
Exact Mass391.92
IUPAC Nameoxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.O=C(O)C1OC(C(=O)O)C(C(=O)O)C1C(=O)O
InChIInChI=1S/C8H8O9.4ClH/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);4*1H
InChIKeyUBHRVFJFOSNSBK-UHFFFAOYSA-N
XLogP0.01
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.99
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid
CID 98108676
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
5-propan-2-yloxane-2,3,4-tricarboxylic acid
CID 138650986

Frequently Asked Questions

What is the IUPAC name of oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride?
The IUPAC name of oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride (CID 66750488) is oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride.
What is the SMILES notation for oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride?
The canonical SMILES for oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride is Cl.Cl.Cl.Cl.O=C(O)C1OC(C(=O)O)C(C(=O)O)C1C(=O)O.
What is the InChIKey of oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride?
The InChIKey is UBHRVFJFOSNSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O9.4ClH/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);4*1H.
What are the key properties of oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride?
oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride has a molecular weight of 393.99 g/mol, XLogP of 0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride is sourced from PubChem (CID 66750488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).