trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride

C3H15Mg3O6P — CID 174390583

IUPACtrimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
SMILESO=P(O)(O)OCC(O)CO.[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C3H9O6P.3Mg.6H/c4-1-3(5)2-9-10(6,7)8;;;;;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;;;;;;;/q;3*+2;6*-1
InChIKeySIGGMNYLWTVGON-UHFFFAOYSA-N
MW251.04 g/mol
LogP-2.02
Rot. Bonds4

About trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride

trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride (PubChem CID 174390583) has the molecular formula C3H15Mg3O6P and a molecular weight of 251.04 g/mol. Its IUPAC name is trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride.

Molecular Properties

Compound Nametrimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
PubChem CID174390583
Molecular FormulaC3H15Mg3O6P
Molecular Weight251.04 g/mol
Exact Mass250.02
IUPAC Nametrimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
SMILESO=P(O)(O)OCC(O)CO.[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C3H9O6P.3Mg.6H/c4-1-3(5)2-9-10(6,7)8;;;;;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;;;;;;;/q;3*+2;6*-1
InChIKeySIGGMNYLWTVGON-UHFFFAOYSA-N
XLogP-2.02
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
[(2S)-3-[[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-methylphosphoryl]oxy-2-hydroxypropyl] [(2R)-2-hydroxy-3-phosphonooxypropyl] hydrogen phosphate
CID 89473518
2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
CID 159257312
2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
CID 87187110
CID 175855975
CID 175855975
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol
CID 88646758
cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
CID 71317128
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990
N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
CID 70264919

Frequently Asked Questions

What is the IUPAC name of trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride?
The IUPAC name of trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride (CID 174390583) is trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride.
What is the SMILES notation for trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride?
The canonical SMILES for trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride is O=P(O)(O)OCC(O)CO.[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride?
The InChIKey is SIGGMNYLWTVGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O6P.3Mg.6H/c4-1-3(5)2-9-10(6,7)8;;;;;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;;;;;;;/q;3*+2;6*-1.
What are the key properties of trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride?
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride has a molecular weight of 251.04 g/mol, XLogP of -2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride is sourced from PubChem (CID 174390583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).