tetracalcium;hydride;diphosphate

H2Ca4O8P2 — CID 173034518

IUPACtetracalcium;hydride;diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[H-].[H-]
InChIInChI=1S/4Ca.2H3O4P.2H/c;;;;2*1-5(2,3)4;;/h;;;;2*(H3,1,2,3,4);;/q4*+2;;;2*-1/p-6
InChIKeyZJQSOBXBWGEWOT-UHFFFAOYSA-H
MW352.27 g/mol
LogP-6.95
Rot. Bonds

About tetracalcium;hydride;diphosphate

tetracalcium;hydride;diphosphate (PubChem CID 173034518) has the molecular formula H2Ca4O8P2 and a molecular weight of 352.27 g/mol. Its IUPAC name is tetracalcium;hydride;diphosphate.

Molecular Properties

Compound Nametetracalcium;hydride;diphosphate
PubChem CID173034518
Molecular FormulaH2Ca4O8P2
Molecular Weight352.27 g/mol
Exact Mass351.77
IUPAC Nametetracalcium;hydride;diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[H-].[H-]
InChIInChI=1S/4Ca.2H3O4P.2H/c;;;;2*1-5(2,3)4;;/h;;;;2*(H3,1,2,3,4);;/q4*+2;;;2*-1/p-6
InChIKeyZJQSOBXBWGEWOT-UHFFFAOYSA-H
XLogP-6.95
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 5-6.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tetracalcium;hydride;zinc;diphosphate
CID 173330822
calcium;gadolinium(3+);hydride;phosphate
CID 175195736
molybdenum diphosphate
CID 22395595
pentacalcium;phosphate
CID 23104844
nonacalcium;trisodium;heptaphosphate
CID 173013514
tricalcium;zirconium(4+);phosphate
CID 172787637
octacalcium;phosphate;pentahydrate
CID 22051766
tricalcium;silver;phosphate
CID 161015169
molybdenum;tris(vanadium);undecaphosphate
CID 18374020
tricalcium;fluoride;phosphate
CID 157125921
tricalcium;trimagnesium;tristrontium;tris(barium(2+));hydride;diphosphate
CID 173318244
calcium;manganese(2+);vanadium;triphosphate
CID 174881340

Frequently Asked Questions

What is the IUPAC name of tetracalcium;hydride;diphosphate?
The IUPAC name of tetracalcium;hydride;diphosphate (CID 173034518) is tetracalcium;hydride;diphosphate.
What is the SMILES notation for tetracalcium;hydride;diphosphate?
The canonical SMILES for tetracalcium;hydride;diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].
What is the InChIKey of tetracalcium;hydride;diphosphate?
The InChIKey is ZJQSOBXBWGEWOT-UHFFFAOYSA-H. The full InChI is InChI=1S/4Ca.2H3O4P.2H/c;;;;2*1-5(2,3)4;;/h;;;;2*(H3,1,2,3,4);;/q4*+2;;;2*-1/p-6.
What are the key properties of tetracalcium;hydride;diphosphate?
tetracalcium;hydride;diphosphate has a molecular weight of 352.27 g/mol, XLogP of -6.95, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetracalcium;hydride;diphosphate is sourced from PubChem (CID 173034518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).