neodymium(3+);carbonate;octahydrate

CH16NdO11+ — CID 22713095

IUPACneodymium(3+);carbonate;octahydrate
SMILESO.O.O.O.O.O.O.O.O=C([O-])[O-].[Nd+3]
InChIInChI=1S/CH2O3.Nd.8H2O/c2-1(3)4;;;;;;;;;/h(H2,2,3,4);;8*1H2/q;+3;;;;;;;;/p-2
InChIKeyLNCYCAGGYKYKBB-UHFFFAOYSA-L
MW348.37 g/mol
LogP-9.04
Rot. Bonds

About neodymium(3+);carbonate;octahydrate

neodymium(3+);carbonate;octahydrate (PubChem CID 22713095) has the molecular formula CH16NdO11+ and a molecular weight of 348.37 g/mol. Its IUPAC name is neodymium(3+);carbonate;octahydrate.

Molecular Properties

Compound Nameneodymium(3+);carbonate;octahydrate
PubChem CID22713095
Molecular FormulaCH16NdO11+
Molecular Weight348.37 g/mol
Exact Mass345.98
IUPAC Nameneodymium(3+);carbonate;octahydrate
SMILESO.O.O.O.O.O.O.O.O=C([O-])[O-].[Nd+3]
InChIInChI=1S/CH2O3.Nd.8H2O/c2-1(3)4;;;;;;;;;/h(H2,2,3,4);;8*1H2/q;+3;;;;;;;;/p-2
InChIKeyLNCYCAGGYKYKBB-UHFFFAOYSA-L
XLogP-9.04
TPSA315.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 5-9.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of neodymium(3+);carbonate;octahydrate?
The IUPAC name of neodymium(3+);carbonate;octahydrate (CID 22713095) is neodymium(3+);carbonate;octahydrate.
What is the SMILES notation for neodymium(3+);carbonate;octahydrate?
The canonical SMILES for neodymium(3+);carbonate;octahydrate is O.O.O.O.O.O.O.O.O=C([O-])[O-].[Nd+3].
What is the InChIKey of neodymium(3+);carbonate;octahydrate?
The InChIKey is LNCYCAGGYKYKBB-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Nd.8H2O/c2-1(3)4;;;;;;;;;/h(H2,2,3,4);;8*1H2/q;+3;;;;;;;;/p-2.
What are the key properties of neodymium(3+);carbonate;octahydrate?
neodymium(3+);carbonate;octahydrate has a molecular weight of 348.37 g/mol, XLogP of -9.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium(3+);carbonate;octahydrate is sourced from PubChem (CID 22713095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).