magnesium pyrophosphate hydrate

H6MgO8P2 — CID 176515646

IUPAC—
SMILESO.O=P(O)(O)OP(=O)(O)O.[Mg]
InChIInChI=1S/Mg.H4O7P2.H2O/c;1-8(2,3)7-9(4,5)6;/h;(H2,1,2,3)(H2,4,5,6);1H2
InChIKeyKFOFDUFOSSOCLS-UHFFFAOYSA-N
MW220.29 g/mol
LogP-2.02
Rot. Bonds2

About magnesium pyrophosphate hydrate

magnesium pyrophosphate hydrate (PubChem CID 176515646) has the molecular formula H6MgO8P2 and a molecular weight of 220.29 g/mol.

Molecular Properties

Compound Namemagnesium pyrophosphate hydrate
PubChem CID176515646
Molecular FormulaH6MgO8P2
Molecular Weight220.29 g/mol
Exact Mass219.94
IUPAC Name—
SMILESO.O=P(O)(O)OP(=O)(O)O.[Mg]
InChIInChI=1S/Mg.H4O7P2.H2O/c;1-8(2,3)7-9(4,5)6;/h;(H2,1,2,3)(H2,4,5,6);1H2
InChIKeyKFOFDUFOSSOCLS-UHFFFAOYSA-N
XLogP-2.02
TPSA155.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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phosphono dihydrogen phosphate;silver
CID 131872547
dialuminum;phosphono dihydrogen phosphate
CID 175801807
potassium;sodium;hydride;phosphono dihydrogen phosphate;trihydrate
CID 175108707
azane;hydron;phosphono dihydrogen phosphate
CID 173267420
beryllium;hydride;phosphono dihydrogen phosphate
CID 174815084
copper;phosphono dihydrogen phosphate;phosphoric acid
CID 173436835
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
manganese;phosphono dihydrogen phosphate;phosphoric acid
CID 174967015
alumane;phosphono dihydrogen phosphate;zinc
CID 174869151

Frequently Asked Questions

What is the IUPAC name of magnesium pyrophosphate hydrate?
The IUPAC name of magnesium pyrophosphate hydrate (CID 176515646) is not available.
What is the SMILES notation for magnesium pyrophosphate hydrate?
The canonical SMILES for magnesium pyrophosphate hydrate is O.O=P(O)(O)OP(=O)(O)O.[Mg].
What is the InChIKey of magnesium pyrophosphate hydrate?
The InChIKey is KFOFDUFOSSOCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/Mg.H4O7P2.H2O/c;1-8(2,3)7-9(4,5)6;/h;(H2,1,2,3)(H2,4,5,6);1H2.
What are the key properties of magnesium pyrophosphate hydrate?
magnesium pyrophosphate hydrate has a molecular weight of 220.29 g/mol, XLogP of -2.02, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium pyrophosphate hydrate is sourced from PubChem (CID 176515646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).