(2R,6R)-selenane-2,6-dicarboxylic acid

C7H10O4Se — CID 163044693

IUPAC(2R,6R)-selenane-2,6-dicarboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H](C(=O)O)[Se]1
InChIInChI=1S/C7H10O4Se/c8-6(9)4-2-1-3-5(12-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1
InChIKeyBWCQOGBUPIMFRA-RFZPGFLSSA-N
MW237.11 g/mol
LogP0.62
Rot. Bonds2

About (2R,6R)-selenane-2,6-dicarboxylic acid

(2R,6R)-selenane-2,6-dicarboxylic acid (PubChem CID 163044693) has the molecular formula C7H10O4Se and a molecular weight of 237.11 g/mol. Its IUPAC name is (2R,6R)-selenane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(2R,6R)-selenane-2,6-dicarboxylic acid
PubChem CID163044693
Molecular FormulaC7H10O4Se
Molecular Weight237.11 g/mol
Exact Mass237.97
IUPAC Name(2R,6R)-selenane-2,6-dicarboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H](C(=O)O)[Se]1
InChIInChI=1S/C7H10O4Se/c8-6(9)4-2-1-3-5(12-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1
InChIKeyBWCQOGBUPIMFRA-RFZPGFLSSA-N
XLogP0.62
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.11
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R,6R)-diselenane-3,6-dicarboxylic acid
CID 102301366
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
5-prop-2-enoylcyclooctane-1-carboxylic acid
CID 155138380
(2S,6R)-oxane-2,6-dicarboxylic acid
CID 22804348
bicyclo[3.2.1]octane-8-carboxylic acid
CID 69144548
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
cyclopentanecarboxylic acid
CID 18840
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid
CID 131113488
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclohexanecarboxylic acid
CID 11286469

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-selenane-2,6-dicarboxylic acid?
The IUPAC name of (2R,6R)-selenane-2,6-dicarboxylic acid (CID 163044693) is (2R,6R)-selenane-2,6-dicarboxylic acid.
What is the SMILES notation for (2R,6R)-selenane-2,6-dicarboxylic acid?
The canonical SMILES for (2R,6R)-selenane-2,6-dicarboxylic acid is O=C(O)[C@H]1CCC[C@H](C(=O)O)[Se]1.
What is the InChIKey of (2R,6R)-selenane-2,6-dicarboxylic acid?
The InChIKey is BWCQOGBUPIMFRA-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H10O4Se/c8-6(9)4-2-1-3-5(12-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1.
What are the key properties of (2R,6R)-selenane-2,6-dicarboxylic acid?
(2R,6R)-selenane-2,6-dicarboxylic acid has a molecular weight of 237.11 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-selenane-2,6-dicarboxylic acid is sourced from PubChem (CID 163044693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).