calcium;carbonic acid;oxygen(2-)

CH2CaO4 — CID 19067532

IUPACcalcium;carbonic acid;oxygen(2-)
SMILESO=C(O)O.[Ca+2].[O-2]
InChIInChI=1S/CH2O3.Ca.O/c2-1(3)4;;/h(H2,2,3,4);;/q;+2;-2
InChIKeyNUJZYKSMSMCKND-UHFFFAOYSA-N
MW118.10 g/mol
LogP-0.28
Rot. Bonds

About calcium;carbonic acid;oxygen(2-)

calcium;carbonic acid;oxygen(2-) (PubChem CID 19067532) has the molecular formula CH2CaO4 and a molecular weight of 118.10 g/mol. Its IUPAC name is calcium;carbonic acid;oxygen(2-).

Molecular Properties

Compound Namecalcium;carbonic acid;oxygen(2-)
PubChem CID19067532
Molecular FormulaCH2CaO4
Molecular Weight118.10 g/mol
Exact Mass117.96
IUPAC Namecalcium;carbonic acid;oxygen(2-)
SMILESO=C(O)O.[Ca+2].[O-2]
InChIInChI=1S/CH2O3.Ca.O/c2-1(3)4;;/h(H2,2,3,4);;/q;+2;-2
InChIKeyNUJZYKSMSMCKND-UHFFFAOYSA-N
XLogP-0.28
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.10
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze calcium;carbonic acid;oxygen(2-) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;magnesium;carbonic acid;oxygen(2-)
CID 173036829
carbonic acid;molybdenum
CID 87095974
calcium;carbonic acid;difluoride
CID 174333629
tricalcium;carbonic acid;hydride
CID 173419808
calcium;carbonic acid;dibromide
CID 174832519
dicalcium;carbonic acid;hydride;methane
CID 173330870
dicalcium;dimagnesium;carbonic acid;hydride
CID 174770084
calcium;carbonic acid;hydride;phosphane
CID 174337787
calcium;carbonic acid;hydride;dihydrochloride
CID 174815432
calcium;disodium;carbonic acid;hydride
CID 174940412
carbonic acid;plutonium
CID 173151593
CID 87090001
CID 87090001

Frequently Asked Questions

What is the IUPAC name of calcium;carbonic acid;oxygen(2-)?
The IUPAC name of calcium;carbonic acid;oxygen(2-) (CID 19067532) is calcium;carbonic acid;oxygen(2-).
What is the SMILES notation for calcium;carbonic acid;oxygen(2-)?
The canonical SMILES for calcium;carbonic acid;oxygen(2-) is O=C(O)O.[Ca+2].[O-2].
What is the InChIKey of calcium;carbonic acid;oxygen(2-)?
The InChIKey is NUJZYKSMSMCKND-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Ca.O/c2-1(3)4;;/h(H2,2,3,4);;/q;+2;-2.
What are the key properties of calcium;carbonic acid;oxygen(2-)?
calcium;carbonic acid;oxygen(2-) has a molecular weight of 118.10 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;carbonic acid;oxygen(2-) is sourced from PubChem (CID 19067532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).