(2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate

C4H6O5Se2 — CID 175128658

IUPAC(2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate
SMILESO=C(OC(=O)C(O)[SeH])C(O)[SeH]
InChIInChI=1S/C4H6O5Se2/c5-1(3(7)10)9-2(6)4(8)11/h3-4,7-8,10-11H
InChIKeyFQDVYDBDBODBGL-UHFFFAOYSA-N
MW292.01 g/mol
LogP-3.51
Rot. Bonds2

About (2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate

(2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate (PubChem CID 175128658) has the molecular formula C4H6O5Se2 and a molecular weight of 292.01 g/mol. Its IUPAC name is (2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate.

Molecular Properties

Compound Name(2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate
PubChem CID175128658
Molecular FormulaC4H6O5Se2
Molecular Weight292.01 g/mol
Exact Mass293.85
IUPAC Name(2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate
SMILESO=C(OC(=O)C(O)[SeH])C(O)[SeH]
InChIInChI=1S/C4H6O5Se2/c5-1(3(7)10)9-2(6)4(8)11/h3-4,7-8,10-11H
InChIKeyFQDVYDBDBODBGL-UHFFFAOYSA-N
XLogP-3.51
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 5-3.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate?
The IUPAC name of (2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate (CID 175128658) is (2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate.
What is the SMILES notation for (2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate?
The canonical SMILES for (2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate is O=C(OC(=O)C(O)[SeH])C(O)[SeH].
What is the InChIKey of (2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate?
The InChIKey is FQDVYDBDBODBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5Se2/c5-1(3(7)10)9-2(6)4(8)11/h3-4,7-8,10-11H.
What are the key properties of (2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate?
(2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate has a molecular weight of 292.01 g/mol, XLogP of -3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-selanylacetyl) 2-hydroxy-2-selanylacetate is sourced from PubChem (CID 175128658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).