bis(cerium(3+));tricarbonate;nonahydrate

C3H18Ce2O18 — CID 139747168

IUPACbis(cerium(3+));tricarbonate;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Ce+3].[Ce+3]
InChIInChI=1S/3CH2O3.2Ce.9H2O/c3*2-1(3)4;;;;;;;;;;;/h3*(H2,2,3,4);;;9*1H2/q;;;2*+3;;;;;;;;;/p-6
InChIKeyNYBAZLIQWHMXCV-UHFFFAOYSA-H
MW622.39 g/mol
LogP-14.76
Rot. Bonds

About bis(cerium(3+));tricarbonate;nonahydrate

bis(cerium(3+));tricarbonate;nonahydrate (PubChem CID 139747168) has the molecular formula C3H18Ce2O18 and a molecular weight of 622.39 g/mol. Its IUPAC name is bis(cerium(3+));tricarbonate;nonahydrate.

Molecular Properties

Compound Namebis(cerium(3+));tricarbonate;nonahydrate
PubChem CID139747168
Molecular FormulaC3H18Ce2O18
Molecular Weight622.39 g/mol
Exact Mass621.86
IUPAC Namebis(cerium(3+));tricarbonate;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Ce+3].[Ce+3]
InChIInChI=1S/3CH2O3.2Ce.9H2O/c3*2-1(3)4;;;;;;;;;;;/h3*(H2,2,3,4);;;9*1H2/q;;;2*+3;;;;;;;;;/p-6
InChIKeyNYBAZLIQWHMXCV-UHFFFAOYSA-H
XLogP-14.76
TPSA473.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.39
LogP ≤ 5-14.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of bis(cerium(3+));tricarbonate;nonahydrate?
The IUPAC name of bis(cerium(3+));tricarbonate;nonahydrate (CID 139747168) is bis(cerium(3+));tricarbonate;nonahydrate.
What is the SMILES notation for bis(cerium(3+));tricarbonate;nonahydrate?
The canonical SMILES for bis(cerium(3+));tricarbonate;nonahydrate is O.O.O.O.O.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Ce+3].[Ce+3].
What is the InChIKey of bis(cerium(3+));tricarbonate;nonahydrate?
The InChIKey is NYBAZLIQWHMXCV-UHFFFAOYSA-H. The full InChI is InChI=1S/3CH2O3.2Ce.9H2O/c3*2-1(3)4;;;;;;;;;;;/h3*(H2,2,3,4);;;9*1H2/q;;;2*+3;;;;;;;;;/p-6.
What are the key properties of bis(cerium(3+));tricarbonate;nonahydrate?
bis(cerium(3+));tricarbonate;nonahydrate has a molecular weight of 622.39 g/mol, XLogP of -14.76, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cerium(3+));tricarbonate;nonahydrate is sourced from PubChem (CID 139747168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).