dialuminum;dicalcium;hydroxymethanone;pentahydroxide

C5H10Al2Ca2O15 — CID 173350223

IUPACdialuminum;dicalcium;hydroxymethanone;pentahydroxide
SMILESO=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.[Al+3].[Al+3].[Ca+2].[Ca+2].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/5CHO2.2Al.2Ca.5H2O/c5*2-1-3;;;;;;;;;/h5*(H,2,3);;;;;5*1H2/q5*-1;2*+3;2*+2;;;;;/p-5
InChIKeyMLPZQWWRMNMWKQ-UHFFFAOYSA-I
MW444.24 g/mol
LogP-4.35
Rot. Bonds

About dialuminum;dicalcium;hydroxymethanone;pentahydroxide

dialuminum;dicalcium;hydroxymethanone;pentahydroxide (PubChem CID 173350223) has the molecular formula C5H10Al2Ca2O15 and a molecular weight of 444.24 g/mol. Its IUPAC name is dialuminum;dicalcium;hydroxymethanone;pentahydroxide.

Molecular Properties

Compound Namedialuminum;dicalcium;hydroxymethanone;pentahydroxide
PubChem CID173350223
Molecular FormulaC5H10Al2Ca2O15
Molecular Weight444.24 g/mol
Exact Mass443.89
IUPAC Namedialuminum;dicalcium;hydroxymethanone;pentahydroxide
SMILESO=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.[Al+3].[Al+3].[Ca+2].[Ca+2].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/5CHO2.2Al.2Ca.5H2O/c5*2-1-3;;;;;;;;;/h5*(H,2,3);;;;;5*1H2/q5*-1;2*+3;2*+2;;;;;/p-5
InChIKeyMLPZQWWRMNMWKQ-UHFFFAOYSA-I
XLogP-4.35
TPSA336.50 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.24
LogP ≤ 5-4.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dialuminum;dicalcium;hydroxymethanone;pentahydroxide?
The IUPAC name of dialuminum;dicalcium;hydroxymethanone;pentahydroxide (CID 173350223) is dialuminum;dicalcium;hydroxymethanone;pentahydroxide.
What is the SMILES notation for dialuminum;dicalcium;hydroxymethanone;pentahydroxide?
The canonical SMILES for dialuminum;dicalcium;hydroxymethanone;pentahydroxide is O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.[Al+3].[Al+3].[Ca+2].[Ca+2].[OH-].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of dialuminum;dicalcium;hydroxymethanone;pentahydroxide?
The InChIKey is MLPZQWWRMNMWKQ-UHFFFAOYSA-I. The full InChI is InChI=1S/5CHO2.2Al.2Ca.5H2O/c5*2-1-3;;;;;;;;;/h5*(H,2,3);;;;;5*1H2/q5*-1;2*+3;2*+2;;;;;/p-5.
What are the key properties of dialuminum;dicalcium;hydroxymethanone;pentahydroxide?
dialuminum;dicalcium;hydroxymethanone;pentahydroxide has a molecular weight of 444.24 g/mol, XLogP of -4.35, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;dicalcium;hydroxymethanone;pentahydroxide is sourced from PubChem (CID 173350223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).