magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate

C6H16MgO12P2 — CID 174961959

IUPACmagnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate
SMILESO=C(COP(=O)(O)OP(=O)(O)O)C(O)C(O)C(O)CO.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H14O12P2.Mg.2H/c7-1-3(8)5(10)6(11)4(9)2-17-20(15,16)18-19(12,13)14;;;/h3,5-8,10-11H,1-2H2,(H,15,16)(H2,12,13,14);;;/q;+2;2*-1
InChIKeyMGCOYEOKADOHQT-UHFFFAOYSA-N
MW366.44 g/mol
LogP-3.30
Rot. Bonds9

About magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate

magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate (PubChem CID 174961959) has the molecular formula C6H16MgO12P2 and a molecular weight of 366.44 g/mol. Its IUPAC name is magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate.

Molecular Properties

Compound Namemagnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate
PubChem CID174961959
Molecular FormulaC6H16MgO12P2
Molecular Weight366.44 g/mol
Exact Mass366.00
IUPAC Namemagnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate
SMILESO=C(COP(=O)(O)OP(=O)(O)O)C(O)C(O)C(O)CO.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H14O12P2.Mg.2H/c7-1-3(8)5(10)6(11)4(9)2-17-20(15,16)18-19(12,13)14;;;/h3,5-8,10-11H,1-2H2,(H,15,16)(H2,12,13,14);;;/q;+2;2*-1
InChIKeyMGCOYEOKADOHQT-UHFFFAOYSA-N
XLogP-3.30
TPSA211.28 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 5-3.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

phosphono [(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] hydrogen phosphate
CID 126564155
sodium;hydride;[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] dihydrogen phosphate
CID 173292543
disodium;(3,4,5,6-tetrahydroxy-2-oxohexyl) phosphate
CID 164512399
[(3S,4R,5R,6R)-3,4,5,6,7-pentahydroxy-2-oxoheptyl] phosphate
CID 134820516
[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] dihydrogen phosphate;hydrate
CID 138611496
magnesium;sodium;2,3,4,5,6-pentahydroxyhexanal;1,3,4,5,6-pentahydroxyhexan-2-one;phosphono phosphate;chloride
CID 174478675
[hydroxy(phosphonooxy)phosphoryl] [(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] hydrogen phosphate
CID 126564236
bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal
CID 175070891
(3-hydroxy-2-oxopropyl) dihydrogen phosphate;(2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl) dihydrogen phosphate
CID 135309142
[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexyl] [(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonooxyhexyl] hydrogen phosphate
CID 118659700
sodium;hydride;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate
CID 173404445
(3-hydroxy-4-methyl-2-oxopent-4-enyl) phosphono hydrogen phosphate
CID 91354706

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate?
The IUPAC name of magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate (CID 174961959) is magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate.
What is the SMILES notation for magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate?
The canonical SMILES for magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate is O=C(COP(=O)(O)OP(=O)(O)O)C(O)C(O)C(O)CO.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate?
The InChIKey is MGCOYEOKADOHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O12P2.Mg.2H/c7-1-3(8)5(10)6(11)4(9)2-17-20(15,16)18-19(12,13)14;;;/h3,5-8,10-11H,1-2H2,(H,15,16)(H2,12,13,14);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate?
magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate has a molecular weight of 366.44 g/mol, XLogP of -3.30, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;phosphono (3,4,5,6-tetrahydroxy-2-oxohexyl) hydrogen phosphate is sourced from PubChem (CID 174961959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).