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

C2H24Ce2N10O36+10 — CID 160531065

IUPACcarbonic acid;cerium;decakis(dihydroxy(oxo)azanium)
SMILESO=C(O)O.O=C(O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.[Ce].[Ce]
InChIInChI=1S/2CH2O3.2Ce.10H2NO3/c2*2-1(3)4;;;10*2-1(3)4/h2*(H2,2,3,4);;;10*(H2,2,3,4)/q;;;;10*+1
InChIKeyOYVLBHSSMNMKQI-UHFFFAOYSA-N
MW1044.48 g/mol
LogP-4.12
Rot. Bonds

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

carbonic acid;cerium;decakis(dihydroxy(oxo)azanium) (PubChem CID 160531065) has the molecular formula C2H24Ce2N10O36+10 and a molecular weight of 1044.48 g/mol. Its IUPAC name is carbonic acid;cerium;decakis(dihydroxy(oxo)azanium).

Molecular Properties

Compound Namecarbonic acid;cerium;decakis(dihydroxy(oxo)azanium)
PubChem CID160531065
Molecular FormulaC2H24Ce2N10O36+10
Molecular Weight1044.48 g/mol
Exact Mass1043.84
IUPAC Namecarbonic acid;cerium;decakis(dihydroxy(oxo)azanium)
SMILESO=C(O)O.O=C(O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.[Ce].[Ce]
InChIInChI=1S/2CH2O3.2Ce.10H2NO3/c2*2-1(3)4;;;10*2-1(3)4/h2*(H2,2,3,4);;;10*(H2,2,3,4)/q;;;;10*+1
InChIKeyOYVLBHSSMNMKQI-UHFFFAOYSA-N
XLogP-4.12
TPSA720.46 Ų
H-Bond Donors24
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.48
LogP ≤ 5-4.12
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;cerium;pentakis(dihydroxy(oxo)azanium)
CID 155762563
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
carbonic acid;cerium;lanthanum;hydrochloride
CID 174846579
carbonic acid;cerium;lanthanum;hydrofluoride
CID 175102046
lithium;carbonic acid;cerium;hydride
CID 175347004
carbonic acid;ruthenium
CID 87059075
azane;carbonic acid
CID 173237446
carbonic acid;dihydrofluoride
CID 172764528
carbonic acid;hydrogen peroxide;yttrium
CID 174687226

Frequently Asked Questions

What is the IUPAC name of carbonic acid;cerium;decakis(dihydroxy(oxo)azanium)?
The IUPAC name of carbonic acid;cerium;decakis(dihydroxy(oxo)azanium) (CID 160531065) is carbonic acid;cerium;decakis(dihydroxy(oxo)azanium).
What is the SMILES notation for carbonic acid;cerium;decakis(dihydroxy(oxo)azanium)?
The canonical SMILES for carbonic acid;cerium;decakis(dihydroxy(oxo)azanium) is O=C(O)O.O=C(O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.O=[N+](O)O.[Ce].[Ce].
What is the InChIKey of carbonic acid;cerium;decakis(dihydroxy(oxo)azanium)?
The InChIKey is OYVLBHSSMNMKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2O3.2Ce.10H2NO3/c2*2-1(3)4;;;10*2-1(3)4/h2*(H2,2,3,4);;;10*(H2,2,3,4)/q;;;;10*+1.
What are the key properties of carbonic acid;cerium;decakis(dihydroxy(oxo)azanium)?
carbonic acid;cerium;decakis(dihydroxy(oxo)azanium) has a molecular weight of 1044.48 g/mol, XLogP of -4.12, 0 rotatable bonds, 24 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cerium;decakis(dihydroxy(oxo)azanium) is sourced from PubChem (CID 160531065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).