disodium;titanium;carbonate

CNa2O3Ti — CID 174855593

IUPACdisodium;titanium;carbonate
SMILESO=C([O-])[O-].[Na+].[Na+].[Ti]
InChIInChI=1S/CH2O3.2Na.Ti/c2-1(3)4;;;/h(H2,2,3,4);;;/q;2*+1;/p-2
InChIKeyXDMHGCLSSVSAME-UHFFFAOYSA-L
MW153.85 g/mol
LogP-8.44
Rot. Bonds

About disodium;titanium;carbonate

disodium;titanium;carbonate (PubChem CID 174855593) has the molecular formula CNa2O3Ti and a molecular weight of 153.85 g/mol. Its IUPAC name is disodium;titanium;carbonate.

Molecular Properties

Compound Namedisodium;titanium;carbonate
PubChem CID174855593
Molecular FormulaCNa2O3Ti
Molecular Weight153.85 g/mol
Exact Mass153.91
IUPAC Namedisodium;titanium;carbonate
SMILESO=C([O-])[O-].[Na+].[Na+].[Ti]
InChIInChI=1S/CH2O3.2Na.Ti/c2-1(3)4;;;/h(H2,2,3,4);;;/q;2*+1;/p-2
InChIKeyXDMHGCLSSVSAME-UHFFFAOYSA-L
XLogP-8.44
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.85
LogP ≤ 5-8.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of disodium;titanium;carbonate?
The IUPAC name of disodium;titanium;carbonate (CID 174855593) is disodium;titanium;carbonate.
What is the SMILES notation for disodium;titanium;carbonate?
The canonical SMILES for disodium;titanium;carbonate is O=C([O-])[O-].[Na+].[Na+].[Ti].
What is the InChIKey of disodium;titanium;carbonate?
The InChIKey is XDMHGCLSSVSAME-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.2Na.Ti/c2-1(3)4;;;/h(H2,2,3,4);;;/q;2*+1;/p-2.
What are the key properties of disodium;titanium;carbonate?
disodium;titanium;carbonate has a molecular weight of 153.85 g/mol, XLogP of -8.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;titanium;carbonate is sourced from PubChem (CID 174855593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).