trisodium;hydride;oxirane-2,3-dicarboxylic acid

C4H7Na3O5 — CID 175118143

IUPACtrisodium;hydride;oxirane-2,3-dicarboxylic acid
SMILESO=C(O)C1OC1C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C4H4O5.3Na.3H/c5-3(6)1-2(9-1)4(7)8;;;;;;/h1-2H,(H,5,6)(H,7,8);;;;;;/q;3*+1;3*-1
InChIKeyJEQHQPPXZPWRJX-UHFFFAOYSA-N
MW204.06 g/mol
LogP-9.73
Rot. Bonds2

About trisodium;hydride;oxirane-2,3-dicarboxylic acid

trisodium;hydride;oxirane-2,3-dicarboxylic acid (PubChem CID 175118143) has the molecular formula C4H7Na3O5 and a molecular weight of 204.06 g/mol. Its IUPAC name is trisodium;hydride;oxirane-2,3-dicarboxylic acid.

Molecular Properties

Compound Nametrisodium;hydride;oxirane-2,3-dicarboxylic acid
PubChem CID175118143
Molecular FormulaC4H7Na3O5
Molecular Weight204.06 g/mol
Exact Mass204.00
IUPAC Nametrisodium;hydride;oxirane-2,3-dicarboxylic acid
SMILESO=C(O)C1OC1C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C4H4O5.3Na.3H/c5-3(6)1-2(9-1)4(7)8;;;;;;/h1-2H,(H,5,6)(H,7,8);;;;;;/q;3*+1;3*-1
InChIKeyJEQHQPPXZPWRJX-UHFFFAOYSA-N
XLogP-9.73
TPSA87.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 5-9.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

CID 173010882
CID 173010882
oxirane-2,3-dicarboxylic acid;palladium
CID 176654589
potassium (2S,3S)-oxirane-2,3-dicarboxylic acid
CID 10197893
sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid
CID 175249214
(2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid
CID 98108676
3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
calcium bis((2R,3S)-3-carboxyoxirane-2-carboxylate)
CID 88800397
3-prop-2-enoyloxirane-2-carboxylic acid
CID 141051564
oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride
CID 66750488
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
(1R,2R,4R,5S)-6,6,7,7-tetrafluoro-3-oxabicyclo[3.2.0]heptane-2,4-dicarboxylic acid
CID 7116348
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722

Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;oxirane-2,3-dicarboxylic acid?
The IUPAC name of trisodium;hydride;oxirane-2,3-dicarboxylic acid (CID 175118143) is trisodium;hydride;oxirane-2,3-dicarboxylic acid.
What is the SMILES notation for trisodium;hydride;oxirane-2,3-dicarboxylic acid?
The canonical SMILES for trisodium;hydride;oxirane-2,3-dicarboxylic acid is O=C(O)C1OC1C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;oxirane-2,3-dicarboxylic acid?
The InChIKey is JEQHQPPXZPWRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O5.3Na.3H/c5-3(6)1-2(9-1)4(7)8;;;;;;/h1-2H,(H,5,6)(H,7,8);;;;;;/q;3*+1;3*-1.
What are the key properties of trisodium;hydride;oxirane-2,3-dicarboxylic acid?
trisodium;hydride;oxirane-2,3-dicarboxylic acid has a molecular weight of 204.06 g/mol, XLogP of -9.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;oxirane-2,3-dicarboxylic acid is sourced from PubChem (CID 175118143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).