calcium;lithium;hydride;phosphoric acid;dichloride;hydrate

H6CaCl2LiO5P — CID 175140706

IUPACcalcium;lithium;hydride;phosphoric acid;dichloride;hydrate
SMILESO.O=P(O)(O)O.[Ca+2].[Cl-].[Cl-].[H-].[Li+]
InChIInChI=1S/Ca.2ClH.Li.H3O4P.H2O.H/c;;;;1-5(2,3)4;;/h;2*1H;;(H3,1,2,3,4);1H2;/q+2;;;+1;;;-1/p-2
InChIKeyVNFJGUYQOQYGNS-UHFFFAOYSA-L
MW234.94 g/mol
LogP-11.01
Rot. Bonds

About calcium;lithium;hydride;phosphoric acid;dichloride;hydrate

calcium;lithium;hydride;phosphoric acid;dichloride;hydrate (PubChem CID 175140706) has the molecular formula H6CaCl2LiO5P and a molecular weight of 234.94 g/mol. Its IUPAC name is calcium;lithium;hydride;phosphoric acid;dichloride;hydrate.

Molecular Properties

Compound Namecalcium;lithium;hydride;phosphoric acid;dichloride;hydrate
PubChem CID175140706
Molecular FormulaH6CaCl2LiO5P
Molecular Weight234.94 g/mol
Exact Mass233.91
IUPAC Namecalcium;lithium;hydride;phosphoric acid;dichloride;hydrate
SMILESO.O=P(O)(O)O.[Ca+2].[Cl-].[Cl-].[H-].[Li+]
InChIInChI=1S/Ca.2ClH.Li.H3O4P.H2O.H/c;;;;1-5(2,3)4;;/h;2*1H;;(H3,1,2,3,4);1H2;/q+2;;;+1;;;-1/p-2
InChIKeyVNFJGUYQOQYGNS-UHFFFAOYSA-L
XLogP-11.01
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.94
LogP ≤ 5-11.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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undecacalcium;hydride;phosphoric acid
CID 173326872
calcium;phosphoric acid;hydrate
CID 170923527
tetralithium;hydride;phosphoric acid
CID 173293276
lithium;hydride;manganese;phosphoric acid
CID 173075639
calcium;azane;hydride;phosphoric acid
CID 174906772
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
tetrasodium;hydride;phosphoric acid;decahydrate
CID 173083849
calcium;hydride;hydron;phosphoric acid
CID 175552956
potassium;hydride;phosphoric acid;hydrate
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Frequently Asked Questions

What is the IUPAC name of calcium;lithium;hydride;phosphoric acid;dichloride;hydrate?
The IUPAC name of calcium;lithium;hydride;phosphoric acid;dichloride;hydrate (CID 175140706) is calcium;lithium;hydride;phosphoric acid;dichloride;hydrate.
What is the SMILES notation for calcium;lithium;hydride;phosphoric acid;dichloride;hydrate?
The canonical SMILES for calcium;lithium;hydride;phosphoric acid;dichloride;hydrate is O.O=P(O)(O)O.[Ca+2].[Cl-].[Cl-].[H-].[Li+].
What is the InChIKey of calcium;lithium;hydride;phosphoric acid;dichloride;hydrate?
The InChIKey is VNFJGUYQOQYGNS-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.2ClH.Li.H3O4P.H2O.H/c;;;;1-5(2,3)4;;/h;2*1H;;(H3,1,2,3,4);1H2;/q+2;;;+1;;;-1/p-2.
What are the key properties of calcium;lithium;hydride;phosphoric acid;dichloride;hydrate?
calcium;lithium;hydride;phosphoric acid;dichloride;hydrate has a molecular weight of 234.94 g/mol, XLogP of -11.01, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;lithium;hydride;phosphoric acid;dichloride;hydrate is sourced from PubChem (CID 175140706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).