magnesium 2,3-dihydroxypropyl phosphate

C3H7MgO6P — CID 10012877

IUPACmagnesium 2,3-dihydroxypropyl phosphate
SMILESO=P([O-])([O-])OCC(O)CO.[Mg+2]
InChIInChI=1S/C3H9O6P.Mg/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
InChIKeyBHJKUVVFSKEBEX-UHFFFAOYSA-L
MW194.36 g/mol
LogP-3.20
Rot. Bonds4

About magnesium 2,3-dihydroxypropyl phosphate

magnesium 2,3-dihydroxypropyl phosphate (PubChem CID 10012877) has the molecular formula C3H7MgO6P and a molecular weight of 194.36 g/mol. Its IUPAC name is magnesium 2,3-dihydroxypropyl phosphate.

Molecular Properties

Compound Namemagnesium 2,3-dihydroxypropyl phosphate
PubChem CID10012877
Molecular FormulaC3H7MgO6P
Molecular Weight194.36 g/mol
Exact Mass193.98
IUPAC Namemagnesium 2,3-dihydroxypropyl phosphate
SMILESO=P([O-])([O-])OCC(O)CO.[Mg+2]
InChIInChI=1S/C3H9O6P.Mg/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2
InChIKeyBHJKUVVFSKEBEX-UHFFFAOYSA-L
XLogP-3.20
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 5-3.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Glyceryl 1-phosphate
CID 754
sn-Glycerol 3-phosphate
CID 439162
beta-Glycerophosphate
CID 2526
Sodium Glycerophosphate
CID 14754
Potassium glycerophosphate
CID 80278
Calcium Glycerophosphate
CID 62820
Npc321909
CID 7048686
L-alpha-Glycerophosphate
CID 439276
1,3-Dihydroxypropan-2-yl phosphate
CID 3611397
Disodium glycerophosphate
CID 6101544
Sn-glycerol 1-phosphate(2-)
CID 7048685
Sodium 2,3-dihydroxypropyl hydrogen phosphate
CID 23672316

Frequently Asked Questions

What is the IUPAC name of magnesium 2,3-dihydroxypropyl phosphate?
The IUPAC name of magnesium 2,3-dihydroxypropyl phosphate (CID 10012877) is magnesium 2,3-dihydroxypropyl phosphate.
What is the SMILES notation for magnesium 2,3-dihydroxypropyl phosphate?
The canonical SMILES for magnesium 2,3-dihydroxypropyl phosphate is O=P([O-])([O-])OCC(O)CO.[Mg+2].
What is the InChIKey of magnesium 2,3-dihydroxypropyl phosphate?
The InChIKey is BHJKUVVFSKEBEX-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9O6P.Mg/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2.
What are the key properties of magnesium 2,3-dihydroxypropyl phosphate?
magnesium 2,3-dihydroxypropyl phosphate has a molecular weight of 194.36 g/mol, XLogP of -3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2,3-dihydroxypropyl phosphate is sourced from PubChem (CID 10012877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).