tricalcium;carbonic acid;hydride

C8H22Ca3O24 — CID 173419808

IUPACtricalcium;carbonic acid;hydride
SMILESO=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/8CH2O3.3Ca.6H/c8*2-1(3)4;;;;;;;;;/h8*(H2,2,3,4);;;;;;;;;/q;;;;;;;;3*+2;6*-1
InChIKeyMHDGJQNKPGKONA-UHFFFAOYSA-N
MW622.47 g/mol
LogP1.31
Rot. Bonds

About tricalcium;carbonic acid;hydride

tricalcium;carbonic acid;hydride (PubChem CID 173419808) has the molecular formula C8H22Ca3O24 and a molecular weight of 622.47 g/mol. Its IUPAC name is tricalcium;carbonic acid;hydride.

Molecular Properties

Compound Nametricalcium;carbonic acid;hydride
PubChem CID173419808
Molecular FormulaC8H22Ca3O24
Molecular Weight622.47 g/mol
Exact Mass621.94
IUPAC Nametricalcium;carbonic acid;hydride
SMILESO=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/8CH2O3.3Ca.6H/c8*2-1(3)4;;;;;;;;;/h8*(H2,2,3,4);;;;;;;;;/q;;;;;;;;3*+2;6*-1
InChIKeyMHDGJQNKPGKONA-UHFFFAOYSA-N
XLogP1.31
TPSA460.24 Ų
H-Bond Donors16
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.47
LogP ≤ 51.31
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 108

Analyze tricalcium;carbonic acid;hydride 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;carbonic acid;hydride;dihydrochloride
CID 174815432
dicalcium;carbonic acid;hydride;methane
CID 173330870
dicalcium;dimagnesium;carbonic acid;hydride
CID 174770084
calcium;carbonic acid;hydride;phosphane
CID 174337787
calcium;disodium;carbonic acid;hydride
CID 174940412
carbonic acid;molybdenum
CID 87095974
calcium;magnesium;alumane;carbonic acid;hydride
CID 175056426
calcium;alumane;carbonic acid;hydride;trihydrate
CID 173174353
calcium;carbonic acid;difluoride
CID 174333629
sodium;carbonic acid;hydride
CID 173065911
trimagnesium;carbonic acid;hydride
CID 173236021
magnesium;carbonic acid;hydride
CID 173064498

Frequently Asked Questions

What is the IUPAC name of tricalcium;carbonic acid;hydride?
The IUPAC name of tricalcium;carbonic acid;hydride (CID 173419808) is tricalcium;carbonic acid;hydride.
What is the SMILES notation for tricalcium;carbonic acid;hydride?
The canonical SMILES for tricalcium;carbonic acid;hydride is O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].
What is the InChIKey of tricalcium;carbonic acid;hydride?
The InChIKey is MHDGJQNKPGKONA-UHFFFAOYSA-N. The full InChI is InChI=1S/8CH2O3.3Ca.6H/c8*2-1(3)4;;;;;;;;;/h8*(H2,2,3,4);;;;;;;;;/q;;;;;;;;3*+2;6*-1.
What are the key properties of tricalcium;carbonic acid;hydride?
tricalcium;carbonic acid;hydride has a molecular weight of 622.47 g/mol, XLogP of 1.31, 0 rotatable bonds, 16 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;carbonic acid;hydride is sourced from PubChem (CID 173419808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).