[(6R)-6-carboxy-7-λ6-selanylheptyl]azanium

C8H22NO2Se+ — CID 78225450

IUPAC[(6R)-6-carboxy-7-λ6-selanylheptyl]azanium
SMILES[NH3+]CCCCC[C@@H](C[SeH5])C(=O)O
InChIInChI=1S/C8H21NO2Se/c9-5-3-1-2-4-7(6-12)8(10)11/h7H,1-6,9H2,12H5,(H,10,11)/p+1/t7-/m0/s1
InChIKeySIYQNRXJAZIUMZ-ZETCQYMHSA-O
MW243.23 g/mol
LogP-1.26
Rot. Bonds7

About [(6R)-6-carboxy-7-λ6-selanylheptyl]azanium

[(6R)-6-carboxy-7-λ6-selanylheptyl]azanium (PubChem CID 78225450) has the molecular formula C8H22NO2Se+ and a molecular weight of 243.23 g/mol. Its IUPAC name is [(6R)-6-carboxy-7-λ6-selanylheptyl]azanium.

Molecular Properties

Compound Name[(6R)-6-carboxy-7-λ6-selanylheptyl]azanium
PubChem CID78225450
Molecular FormulaC8H22NO2Se+
Molecular Weight243.23 g/mol
Exact Mass244.08
IUPAC Name[(6R)-6-carboxy-7-λ6-selanylheptyl]azanium
SMILES[NH3+]CCCCC[C@@H](C[SeH5])C(=O)O
InChIInChI=1S/C8H21NO2Se/c9-5-3-1-2-4-7(6-12)8(10)11/h7H,1-6,9H2,12H5,(H,10,11)/p+1/t7-/m0/s1
InChIKeySIYQNRXJAZIUMZ-ZETCQYMHSA-O
XLogP-1.26
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-carboxy-7-λ6-selanylheptyl]azanium?
The IUPAC name of [(6R)-6-carboxy-7-λ6-selanylheptyl]azanium (CID 78225450) is [(6R)-6-carboxy-7-λ6-selanylheptyl]azanium.
What is the SMILES notation for [(6R)-6-carboxy-7-λ6-selanylheptyl]azanium?
The canonical SMILES for [(6R)-6-carboxy-7-λ6-selanylheptyl]azanium is [NH3+]CCCCC[C@@H](C[SeH5])C(=O)O.
What is the InChIKey of [(6R)-6-carboxy-7-λ6-selanylheptyl]azanium?
The InChIKey is SIYQNRXJAZIUMZ-ZETCQYMHSA-O. The full InChI is InChI=1S/C8H21NO2Se/c9-5-3-1-2-4-7(6-12)8(10)11/h7H,1-6,9H2,12H5,(H,10,11)/p+1/t7-/m0/s1.
What are the key properties of [(6R)-6-carboxy-7-λ6-selanylheptyl]azanium?
[(6R)-6-carboxy-7-λ6-selanylheptyl]azanium has a molecular weight of 243.23 g/mol, XLogP of -1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-carboxy-7-λ6-selanylheptyl]azanium is sourced from PubChem (CID 78225450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).