(3R,6R)-diselenane-3,6-dicarboxylic acid

C6H8O4Se2 — CID 102301366

IUPAC(3R,6R)-diselenane-3,6-dicarboxylic acid
SMILESO=C(O)[C@H]1CC[C@H](C(=O)O)[Se][Se]1
InChIInChI=1S/C6H8O4Se2/c7-5(8)3-1-2-4(6(9)10)12-11-3/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1
InChIKeyJAGJLCZKVMJJDA-QWWZWVQMSA-N
MW302.05 g/mol
LogP-0.15
Rot. Bonds2

About (3R,6R)-diselenane-3,6-dicarboxylic acid

(3R,6R)-diselenane-3,6-dicarboxylic acid (PubChem CID 102301366) has the molecular formula C6H8O4Se2 and a molecular weight of 302.05 g/mol. Its IUPAC name is (3R,6R)-diselenane-3,6-dicarboxylic acid.

Molecular Properties

Compound Name(3R,6R)-diselenane-3,6-dicarboxylic acid
PubChem CID102301366
Molecular FormulaC6H8O4Se2
Molecular Weight302.05 g/mol
Exact Mass303.88
IUPAC Name(3R,6R)-diselenane-3,6-dicarboxylic acid
SMILESO=C(O)[C@H]1CC[C@H](C(=O)O)[Se][Se]1
InChIInChI=1S/C6H8O4Se2/c7-5(8)3-1-2-4(6(9)10)12-11-3/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1
InChIKeyJAGJLCZKVMJJDA-QWWZWVQMSA-N
XLogP-0.15
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.05
LogP ≤ 5-0.15
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

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(2R)-cyclobutane-1,2-dicarboxylic acid
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cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
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cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
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CID 53471629
CID 53471629
4-prop-2-enoylcycloundecane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-diselenane-3,6-dicarboxylic acid?
The IUPAC name of (3R,6R)-diselenane-3,6-dicarboxylic acid (CID 102301366) is (3R,6R)-diselenane-3,6-dicarboxylic acid.
What is the SMILES notation for (3R,6R)-diselenane-3,6-dicarboxylic acid?
The canonical SMILES for (3R,6R)-diselenane-3,6-dicarboxylic acid is O=C(O)[C@H]1CC[C@H](C(=O)O)[Se][Se]1.
What is the InChIKey of (3R,6R)-diselenane-3,6-dicarboxylic acid?
The InChIKey is JAGJLCZKVMJJDA-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H8O4Se2/c7-5(8)3-1-2-4(6(9)10)12-11-3/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1.
What are the key properties of (3R,6R)-diselenane-3,6-dicarboxylic acid?
(3R,6R)-diselenane-3,6-dicarboxylic acid has a molecular weight of 302.05 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-diselenane-3,6-dicarboxylic acid is sourced from PubChem (CID 102301366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).