bis(neodymium(3+));tricarbonate;decahydrate

C3H20Nd2O19 — CID 163951984

IUPACbis(neodymium(3+));tricarbonate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Nd+3].[Nd+3]
InChIInChI=1S/3CH2O3.2Nd.10H2O/c3*2-1(3)4;;;;;;;;;;;;/h3*(H2,2,3,4);;;10*1H2/q;;;2*+3;;;;;;;;;;/p-6
InChIKeySACVIPOWYAIVIM-UHFFFAOYSA-H
MW648.65 g/mol
LogP-15.59
Rot. Bonds

About bis(neodymium(3+));tricarbonate;decahydrate

bis(neodymium(3+));tricarbonate;decahydrate (PubChem CID 163951984) has the molecular formula C3H20Nd2O19 and a molecular weight of 648.65 g/mol. Its IUPAC name is bis(neodymium(3+));tricarbonate;decahydrate.

Molecular Properties

Compound Namebis(neodymium(3+));tricarbonate;decahydrate
PubChem CID163951984
Molecular FormulaC3H20Nd2O19
Molecular Weight648.65 g/mol
Exact Mass643.88
IUPAC Namebis(neodymium(3+));tricarbonate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Nd+3].[Nd+3]
InChIInChI=1S/3CH2O3.2Nd.10H2O/c3*2-1(3)4;;;;;;;;;;;;/h3*(H2,2,3,4);;;10*1H2/q;;;2*+3;;;;;;;;;;/p-6
InChIKeySACVIPOWYAIVIM-UHFFFAOYSA-H
XLogP-15.59
TPSA504.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.65
LogP ≤ 5-15.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(neodymium(3+));tricarbonate;decahydrate?
The IUPAC name of bis(neodymium(3+));tricarbonate;decahydrate (CID 163951984) is bis(neodymium(3+));tricarbonate;decahydrate.
What is the SMILES notation for bis(neodymium(3+));tricarbonate;decahydrate?
The canonical SMILES for bis(neodymium(3+));tricarbonate;decahydrate is O.O.O.O.O.O.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Nd+3].[Nd+3].
What is the InChIKey of bis(neodymium(3+));tricarbonate;decahydrate?
The InChIKey is SACVIPOWYAIVIM-UHFFFAOYSA-H. The full InChI is InChI=1S/3CH2O3.2Nd.10H2O/c3*2-1(3)4;;;;;;;;;;;;/h3*(H2,2,3,4);;;10*1H2/q;;;2*+3;;;;;;;;;;/p-6.
What are the key properties of bis(neodymium(3+));tricarbonate;decahydrate?
bis(neodymium(3+));tricarbonate;decahydrate has a molecular weight of 648.65 g/mol, XLogP of -15.59, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(neodymium(3+));tricarbonate;decahydrate is sourced from PubChem (CID 163951984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).