calcium;cerium(3+);carbonate;phosphate

CCaCeO7P — CID 175169837

IUPACcalcium;cerium(3+);carbonate;phosphate
SMILESO=C([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ce+3]
InChIInChI=1S/CH2O3.Ca.Ce.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;+2;+3;/p-5
InChIKeyCSMQWQFEEJGKKV-UHFFFAOYSA-I
MW335.17 g/mol
LogP-5.65
Rot. Bonds

About calcium;cerium(3+);carbonate;phosphate

calcium;cerium(3+);carbonate;phosphate (PubChem CID 175169837) has the molecular formula CCaCeO7P and a molecular weight of 335.17 g/mol. Its IUPAC name is calcium;cerium(3+);carbonate;phosphate.

Molecular Properties

Compound Namecalcium;cerium(3+);carbonate;phosphate
PubChem CID175169837
Molecular FormulaCCaCeO7P
Molecular Weight335.17 g/mol
Exact Mass334.81
IUPAC Namecalcium;cerium(3+);carbonate;phosphate
SMILESO=C([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ce+3]
InChIInChI=1S/CH2O3.Ca.Ce.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;+2;+3;/p-5
InChIKeyCSMQWQFEEJGKKV-UHFFFAOYSA-I
XLogP-5.65
TPSA149.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 5-5.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

calcium;magnesium;carbonate;phosphate
CID 21293796
tricalcium;carbonate;fluoride;phosphate
CID 11437835
dicalcium;sodium;carbonate;phosphate
CID 172753689
pentapotassium;carbonate;phosphate
CID 173178340
magnesium;carbonate;phosphate
CID 19104532
calcium;sodium;dihydrogen phosphate;carbonate
CID 142655218
calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate
CID 159214051
tricalcium;carbonic acid;diphosphate
CID 173377819
pentacalcium;phosphate
CID 23104844
molybdenum diphosphate
CID 22395595
calcium;azane;phosphoric acid;carbonate
CID 173259238
dizinc;hydrogen phosphate;carbonate
CID 142022309

Frequently Asked Questions

What is the IUPAC name of calcium;cerium(3+);carbonate;phosphate?
The IUPAC name of calcium;cerium(3+);carbonate;phosphate (CID 175169837) is calcium;cerium(3+);carbonate;phosphate.
What is the SMILES notation for calcium;cerium(3+);carbonate;phosphate?
The canonical SMILES for calcium;cerium(3+);carbonate;phosphate is O=C([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ce+3].
What is the InChIKey of calcium;cerium(3+);carbonate;phosphate?
The InChIKey is CSMQWQFEEJGKKV-UHFFFAOYSA-I. The full InChI is InChI=1S/CH2O3.Ca.Ce.H3O4P/c2-1(3)4;;;1-5(2,3)4/h(H2,2,3,4);;;(H3,1,2,3,4)/q;+2;+3;/p-5.
What are the key properties of calcium;cerium(3+);carbonate;phosphate?
calcium;cerium(3+);carbonate;phosphate has a molecular weight of 335.17 g/mol, XLogP of -5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;cerium(3+);carbonate;phosphate is sourced from PubChem (CID 175169837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).