magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate

H2MgO7P2 — CID 72941526

IUPACmagnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate
SMILESO=P([O-])(O)OP(=O)([O-])O.[Mg+2]
InChIInChI=1S/Mg.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-2
InChIKeySJGDFDMUFSBWJO-UHFFFAOYSA-L
MW200.26 g/mol
LogP-2.46
Rot. Bonds2

About magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate

magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate (PubChem CID 72941526) has the molecular formula H2MgO7P2 and a molecular weight of 200.26 g/mol. Its IUPAC name is magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate.

Molecular Properties

Compound Namemagnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate
PubChem CID72941526
Molecular FormulaH2MgO7P2
Molecular Weight200.26 g/mol
Exact Mass199.91
IUPAC Namemagnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate
SMILESO=P([O-])(O)OP(=O)([O-])O.[Mg+2]
InChIInChI=1S/Mg.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-2
InChIKeySJGDFDMUFSBWJO-UHFFFAOYSA-L
XLogP-2.46
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-2.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Magnesium Hydrogen Phosphate
CID 123955
(Hydroxy(oxido)phosphoryl) phosphate
CID 4097574
Magnesium dimetaphosphate
CID 16163288
Magnesium diphosphate (Mg2P2O7)
CID 122213
Dihydrogen diphosphate
CID 4995
Phosphonic acid, magnesium salt (2:1)
CID 154734782
Magnesium bisphosphinate
CID 6453375
Magnesium phosphate hydrate
CID 6096954
Diphosphonic acid
CID 6326976
Magnesium Hypophosphite
CID 118984374
Phosphono phosphate
CID 57345951
Diphosphate(1-)
CID 1058

Frequently Asked Questions

What is the IUPAC name of magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate?
The IUPAC name of magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate (CID 72941526) is magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate.
What is the SMILES notation for magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate?
The canonical SMILES for magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate is O=P([O-])(O)OP(=O)([O-])O.[Mg+2].
What is the InChIKey of magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate?
The InChIKey is SJGDFDMUFSBWJO-UHFFFAOYSA-L. The full InChI is InChI=1S/Mg.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;/p-2.
What are the key properties of magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate?
magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate has a molecular weight of 200.26 g/mol, XLogP of -2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium [hydroxy(oxido)phosphoryl] hydrogen phosphate is sourced from PubChem (CID 72941526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).