magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate

C2H10MgO8P2 — CID 175158415

IUPACmagnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate
SMILESCC(OP(=O)(O)O)OP(=O)(O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C2H8O8P2.Mg.2H/c1-2(9-11(3,4)5)10-12(6,7)8;;;/h2H,1H3,(H2,3,4,5)(H2,6,7,8);;;/q;+2;2*-1
InChIKeyYLRABGCULYWCEX-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.60
Rot. Bonds4

About magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate

magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate (PubChem CID 175158415) has the molecular formula C2H10MgO8P2 and a molecular weight of 248.35 g/mol. Its IUPAC name is magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate.

Molecular Properties

Compound Namemagnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate
PubChem CID175158415
Molecular FormulaC2H10MgO8P2
Molecular Weight248.35 g/mol
Exact Mass247.97
IUPAC Namemagnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate
SMILESCC(OP(=O)(O)O)OP(=O)(O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C2H8O8P2.Mg.2H/c1-2(9-11(3,4)5)10-12(6,7)8;;;/h2H,1H3,(H2,3,4,5)(H2,6,7,8);;;/q;+2;2*-1
InChIKeyYLRABGCULYWCEX-UHFFFAOYSA-N
XLogP-0.60
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride
CID 174996934
dicalcium;hydride;2-phosphonooxypropanoic acid
CID 174241121
1,1-dihydroxypropan-2-yl dihydrogen phosphate
CID 175328416
1-(2-methylprop-2-enoxy)ethyl dihydrogen phosphate
CID 87968410
hydroxy 1-phosphonooxyethyl hydrogen phosphate;2-methylprop-2-enoic acid
CID 174767976
[(2S)-1-bromopropan-2-yl] dihydrogen phosphate
CID 174150098
1-hydroxyethyl dihydrogen phosphate;urea
CID 21118622
1-cyanoethyl dihydrogen phosphate
CID 18179255
4-methyl-2-phosphonooxypentanoic acid
CID 123780215
4-chlorobutan-2-yl dihydrogen phosphate
CID 150088716

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate?
The IUPAC name of magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate (CID 175158415) is magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate.
What is the SMILES notation for magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate?
The canonical SMILES for magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate is CC(OP(=O)(O)O)OP(=O)(O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate?
The InChIKey is YLRABGCULYWCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O8P2.Mg.2H/c1-2(9-11(3,4)5)10-12(6,7)8;;;/h2H,1H3,(H2,3,4,5)(H2,6,7,8);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate?
magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate has a molecular weight of 248.35 g/mol, XLogP of -0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;1-phosphonooxyethyl dihydrogen phosphate is sourced from PubChem (CID 175158415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).