tris(11-aminoundecanoate);gold(3+)

C33H66AuN3O6 — CID 173276062

IUPACtris(11-aminoundecanoate);gold(3+)
SMILESNCCCCCCCCCCC(=O)[O-].NCCCCCCCCCCC(=O)[O-].NCCCCCCCCCCC(=O)[O-].[Au+3]
InChIInChI=1S/3C11H23NO2.Au/c3*12-10-8-6-4-2-1-3-5-7-9-11(13)14;/h3*1-10,12H2,(H,13,14);/q;;;+3/p-3
InChIKeySHQIYHGSNORBIV-UHFFFAOYSA-K
MW797.87 g/mol
LogP3.62
Rot. Bonds30

About tris(11-aminoundecanoate);gold(3+)

tris(11-aminoundecanoate);gold(3+) (PubChem CID 173276062) has the molecular formula C33H66AuN3O6 and a molecular weight of 797.87 g/mol. Its IUPAC name is tris(11-aminoundecanoate);gold(3+).

Molecular Properties

Compound Nametris(11-aminoundecanoate);gold(3+)
PubChem CID173276062
Molecular FormulaC33H66AuN3O6
Molecular Weight797.87 g/mol
Exact Mass797.46
IUPAC Nametris(11-aminoundecanoate);gold(3+)
SMILESNCCCCCCCCCCC(=O)[O-].NCCCCCCCCCCC(=O)[O-].NCCCCCCCCCCC(=O)[O-].[Au+3]
InChIInChI=1S/3C11H23NO2.Au/c3*12-10-8-6-4-2-1-3-5-7-9-11(13)14;/h3*1-10,12H2,(H,13,14);/q;;;+3/p-3
InChIKeySHQIYHGSNORBIV-UHFFFAOYSA-K
XLogP3.62
TPSA198.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500797.87
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

iodanium 5-aminopentanoate
CID 162316795
octan-1-amine;octanoate
CID 23330056
tridecanedioate
CID 6994474
dipotassium;octadecanedioate
CID 141466899
disodium;undecanedioate
CID 15107599
decanedioate dichloride
CID 21256251
calcium decanedioate
CID 11637296
dibismuth;tris(nonanedioate)
CID 173224370
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
copper;zinc;bis(decanedioate)
CID 24880289
diazanium;decanedioate;tetrahydrate
CID 164522068

Frequently Asked Questions

What is the IUPAC name of tris(11-aminoundecanoate);gold(3+)?
The IUPAC name of tris(11-aminoundecanoate);gold(3+) (CID 173276062) is tris(11-aminoundecanoate);gold(3+).
What is the SMILES notation for tris(11-aminoundecanoate);gold(3+)?
The canonical SMILES for tris(11-aminoundecanoate);gold(3+) is NCCCCCCCCCCC(=O)[O-].NCCCCCCCCCCC(=O)[O-].NCCCCCCCCCCC(=O)[O-].[Au+3].
What is the InChIKey of tris(11-aminoundecanoate);gold(3+)?
The InChIKey is SHQIYHGSNORBIV-UHFFFAOYSA-K. The full InChI is InChI=1S/3C11H23NO2.Au/c3*12-10-8-6-4-2-1-3-5-7-9-11(13)14;/h3*1-10,12H2,(H,13,14);/q;;;+3/p-3.
What are the key properties of tris(11-aminoundecanoate);gold(3+)?
tris(11-aminoundecanoate);gold(3+) has a molecular weight of 797.87 g/mol, XLogP of 3.62, 30 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(11-aminoundecanoate);gold(3+) is sourced from PubChem (CID 173276062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).