carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)

CH12CeN5O18+5 — CID 155762563

IUPACcarbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)
SMILESO=C(O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.[Ce]
InChIInChI=1S/CH2O3.Ce.5H2NO3/c2-1(3)4;;5*2-1(3)4/h(H2,2,3,4);;5*(H2,2,3,4)/q;;5*+1
InChIKeyBJIHMXTXAJIOBG-UHFFFAOYSA-N
MW522.24 g/mol
LogP-2.06
Rot. Bonds

About carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)

carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium) (PubChem CID 155762563) has the molecular formula CH12CeN5O18+5 and a molecular weight of 522.24 g/mol. Its IUPAC name is carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium).

Molecular Properties

Compound Namecarbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)
PubChem CID155762563
Molecular FormulaCH12CeN5O18+5
Molecular Weight522.24 g/mol
Exact Mass521.92
IUPAC Namecarbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)
SMILESO=C(O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.[Ce]
InChIInChI=1S/CH2O3.Ce.5H2NO3/c2-1(3)4;;5*2-1(3)4/h(H2,2,3,4);;5*(H2,2,3,4)/q;;5*+1
InChIKeyBJIHMXTXAJIOBG-UHFFFAOYSA-N
XLogP-2.06
TPSA360.23 Ų
H-Bond Donors12
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.24
LogP ≤ 5-2.06
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;cerium;decakis(dihydroxy(oxo)azanium)
CID 160531065
carbonic acid;cerium;nitric acid
CID 174736285
carbonic acid;methane;nitric acid
CID 172861779
dihydroxy(oxo)azanium chloride
CID 147350309
tris(dihydroxy(oxo)azanium);europium
CID 50909722
lithium;carbonic acid;cerium;hydride
CID 175347004
carbonic acid;cerium;lanthanum;hydrochloride
CID 174846579
carbonic acid;cerium;lanthanum;hydrofluoride
CID 175102046
carbonic acid;ruthenium
CID 87059075
carbonic acid;selane
CID 174299028
carbonic acid;dihydrofluoride
CID 172764528
carbonic acid;hydrogen peroxide;yttrium
CID 174687226

Frequently Asked Questions

What is the IUPAC name of carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)?
The IUPAC name of carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium) (CID 155762563) is carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium).
What is the SMILES notation for carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)?
The canonical SMILES for carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium) is O=C(O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.[Ce].
What is the InChIKey of carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)?
The InChIKey is BJIHMXTXAJIOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Ce.5H2NO3/c2-1(3)4;;5*2-1(3)4/h(H2,2,3,4);;5*(H2,2,3,4)/q;;5*+1.
What are the key properties of carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)?
carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium) has a molecular weight of 522.24 g/mol, XLogP of -2.06, 0 rotatable bonds, 12 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium) is sourced from PubChem (CID 155762563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).