magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride

C6H14Cl2MgO5 — CID 174372262

IUPACmagnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
SMILESOCC(O)COCC(O)CO.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H14O5.2ClH.Mg/c7-1-5(9)3-11-4-6(10)2-8;;;/h5-10H,1-4H2;2*1H;/q;;;+2/p-2
InChIKeyFTFBLHFGDHNNCC-UHFFFAOYSA-L
MW261.38 g/mol
LogP-8.66
Rot. Bonds6

About magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride

magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride (PubChem CID 174372262) has the molecular formula C6H14Cl2MgO5 and a molecular weight of 261.38 g/mol. Its IUPAC name is magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride.

Molecular Properties

Compound Namemagnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
PubChem CID174372262
Molecular FormulaC6H14Cl2MgO5
Molecular Weight261.38 g/mol
Exact Mass260.01
IUPAC Namemagnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
SMILESOCC(O)COCC(O)CO.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H14O5.2ClH.Mg/c7-1-5(9)3-11-4-6(10)2-8;;;/h5-10H,1-4H2;2*1H;/q;;;+2/p-2
InChIKeyFTFBLHFGDHNNCC-UHFFFAOYSA-L
XLogP-8.66
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 5-8.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
3-(2,3-dihydroxypropoxy)propane-1,2-diol;formic acid
CID 174848514
3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
CID 87602858
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl]-trimethylazanium
CID 89337640
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399

Frequently Asked Questions

What is the IUPAC name of magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride?
The IUPAC name of magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride (CID 174372262) is magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride.
What is the SMILES notation for magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride?
The canonical SMILES for magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride is OCC(O)COCC(O)CO.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride?
The InChIKey is FTFBLHFGDHNNCC-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14O5.2ClH.Mg/c7-1-5(9)3-11-4-6(10)2-8;;;/h5-10H,1-4H2;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride?
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride has a molecular weight of 261.38 g/mol, XLogP of -8.66, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride is sourced from PubChem (CID 174372262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).