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

C3H20Nd2O19 — CID 163951984

IUPACbis(neodymium(3+));tricarbonate;decahydrate
SMILESC(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.O.O.O.O.O.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
MW648.66 g/mol
LogP—
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 648.66 g/mol. Its IUPAC name is bis(neodymium(3+));tricarbonate;decahydrate.

Molecular Properties

Compound NameBis(neodymium(3+));tricarbonate;decahydrate
PubChem CID163951984
Molecular FormulaC3H20Nd2O19
Molecular Weight648.66 g/mol
Exact Mass645.88
IUPAC Namebis(neodymium(3+));tricarbonate;decahydrate
SMILESC(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.O.O.O.O.O.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—
TPSA200.00 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms24
Complexity18

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500648.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze Bis(neodymium(3+));tricarbonate;decahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lanthanum carbonate octahydrate
CID 25021823
Cerous carbonate pentahydrate
CID 201374
Praseodymium carbonate--water (2/3/8)
CID 25022096
Nickel(2+) carbonate--nickel--water (2/2/3/10)
CID 74765564
Cerium carbonate octahydrate
CID 91886281
Bis(neodymium(3+));tricarbonate;octahydrate
CID 71317275
Bis(cerium(3+));tricarbonate;nonahydrate
CID 139747168
Bis(lanthanum(3+));tricarbonate;decahydrate
CID 168146832
Bis(gadolinium(3+));tricarbonate;octahydrate
CID 169086045
Tris(nickel(2+));dicarbonate;dihydroxide;octahydrate
CID 173272221
Bis(cerium(3+));tricarbonate;dodecahydrate
CID 175366786
Neodymium(3+);carbonate;octahydrate
CID 22713095

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 C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.O.O.O.O.O.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 648.66 g/mol, XLogP of not available, 0 rotatable bonds, 10 hydrogen bond donors, and 19 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).