dicalcium;hydron;phosphoric acid

H4Ca2O4P+5 — CID 173008469

IUPACdicalcium;hydron;phosphoric acid
SMILESO=P(O)(O)O.[Ca+2].[Ca+2].[H+]
InChIInChI=1S/2Ca.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+2;/p+1
InChIKeyNEFBYIFKOOEVPA-UHFFFAOYSA-O
MW179.16 g/mol
LogP-1.58
Rot. Bonds

About dicalcium;hydron;phosphoric acid

dicalcium;hydron;phosphoric acid (PubChem CID 173008469) has the molecular formula H4Ca2O4P+5 and a molecular weight of 179.16 g/mol. Its IUPAC name is dicalcium;hydron;phosphoric acid.

Molecular Properties

Compound Namedicalcium;hydron;phosphoric acid
PubChem CID173008469
Molecular FormulaH4Ca2O4P+5
Molecular Weight179.16 g/mol
Exact Mass178.91
IUPAC Namedicalcium;hydron;phosphoric acid
SMILESO=P(O)(O)O.[Ca+2].[Ca+2].[H+]
InChIInChI=1S/2Ca.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+2;/p+1
InChIKeyNEFBYIFKOOEVPA-UHFFFAOYSA-O
XLogP-1.58
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 5-1.58
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

calcium;hydron;phosphoric acid
CID 172996897
calcium;hydride;hydron;phosphoric acid
CID 175552956
aluminum;hydron;phosphoric acid
CID 173045384
molybdenum;phosphoric acid;zirconium
CID 173324853
undecacalcium;hydride;phosphoric acid
CID 173326872
calcium;phosphoric acid;hydrate
CID 170923527
dipotassium;hydron;phosphoric acid
CID 173015576
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
calcium;tetramagnesium;hydride;phosphoric acid
CID 174600677
calcium;hydride;phosphoric acid;hydrofluoride
CID 172998023
calcium;hydride;phosphoric acid;selane
CID 174689196
calcium;azane;hydride;phosphoric acid
CID 174906772

Frequently Asked Questions

What is the IUPAC name of dicalcium;hydron;phosphoric acid?
The IUPAC name of dicalcium;hydron;phosphoric acid (CID 173008469) is dicalcium;hydron;phosphoric acid.
What is the SMILES notation for dicalcium;hydron;phosphoric acid?
The canonical SMILES for dicalcium;hydron;phosphoric acid is O=P(O)(O)O.[Ca+2].[Ca+2].[H+].
What is the InChIKey of dicalcium;hydron;phosphoric acid?
The InChIKey is NEFBYIFKOOEVPA-UHFFFAOYSA-O. The full InChI is InChI=1S/2Ca.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+2;/p+1.
What are the key properties of dicalcium;hydron;phosphoric acid?
dicalcium;hydron;phosphoric acid has a molecular weight of 179.16 g/mol, XLogP of -1.58, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;hydron;phosphoric acid is sourced from PubChem (CID 173008469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).