lanthanum(3+);triacetate;pentahydrate

C6H19LaO11 — CID 172774835

IUPAClanthanum(3+);triacetate;pentahydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.O.O.O.[La+3]
InChIInChI=1S/3C2H4O2.La.5H2O/c3*1-2(3)4;;;;;;/h3*1H3,(H,3,4);;5*1H2/q;;;+3;;;;;/p-3
InChIKeyNLFKJNZWKOXAOT-UHFFFAOYSA-K
MW406.11 g/mol
LogP-7.85
Rot. Bonds

About lanthanum(3+);triacetate;pentahydrate

lanthanum(3+);triacetate;pentahydrate (PubChem CID 172774835) has the molecular formula C6H19LaO11 and a molecular weight of 406.11 g/mol. Its IUPAC name is lanthanum(3+);triacetate;pentahydrate.

Molecular Properties

Compound Namelanthanum(3+);triacetate;pentahydrate
PubChem CID172774835
Molecular FormulaC6H19LaO11
Molecular Weight406.11 g/mol
Exact Mass406.00
IUPAC Namelanthanum(3+);triacetate;pentahydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.O.O.O.[La+3]
InChIInChI=1S/3C2H4O2.La.5H2O/c3*1-2(3)4;;;;;;/h3*1H3,(H,3,4);;5*1H2/q;;;+3;;;;;/p-3
InChIKeyNLFKJNZWKOXAOT-UHFFFAOYSA-K
XLogP-7.85
TPSA277.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.11
LogP ≤ 5-7.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cerium(3+);acetate;hexahydrate
CID 23158452
yttrium(3+);triacetate;hydrate
CID 57376990
vanadium;triacetate;hydrate
CID 102418603
sodium;acetate;trihydrate
CID 23665404
iron(2+);diacetate;heptahydrate
CID 173209391
CID 170997536
CID 170997536
zinc;diacetate;heptahydrate
CID 161319738
praseodymium(3+);triacetate;trihydrate
CID 172733090
tin(2+);diacetate;dihydrate
CID 174049693
strontium;acetate;hexahydrate
CID 19795582
cobalt(2+);acetate;hexahydrate
CID 21479533
uranium;hexaacetate;hydrate
CID 174392556

Frequently Asked Questions

What is the IUPAC name of lanthanum(3+);triacetate;pentahydrate?
The IUPAC name of lanthanum(3+);triacetate;pentahydrate (CID 172774835) is lanthanum(3+);triacetate;pentahydrate.
What is the SMILES notation for lanthanum(3+);triacetate;pentahydrate?
The canonical SMILES for lanthanum(3+);triacetate;pentahydrate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.O.O.O.[La+3].
What is the InChIKey of lanthanum(3+);triacetate;pentahydrate?
The InChIKey is NLFKJNZWKOXAOT-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H4O2.La.5H2O/c3*1-2(3)4;;;;;;/h3*1H3,(H,3,4);;5*1H2/q;;;+3;;;;;/p-3.
What are the key properties of lanthanum(3+);triacetate;pentahydrate?
lanthanum(3+);triacetate;pentahydrate has a molecular weight of 406.11 g/mol, XLogP of -7.85, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum(3+);triacetate;pentahydrate is sourced from PubChem (CID 172774835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).