magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid

C6H14MgO7P2+2 — CID 18475087

IUPACmagnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid
SMILESCC1OCCC(P(=O)(O)O)C1P(=O)(O)O.[Mg+2]
InChIInChI=1S/C6H14O7P2.Mg/c1-4-6(15(10,11)12)5(2-3-13-4)14(7,8)9;/h4-6H,2-3H2,1H3,(H2,7,8,9)(H2,10,11,12);/q;+2
InChIKeySRWOUAOKBJCXDS-UHFFFAOYSA-N
MW284.42 g/mol
LogP-0.49
Rot. Bonds2

About magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid

magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid (PubChem CID 18475087) has the molecular formula C6H14MgO7P2+2 and a molecular weight of 284.42 g/mol. Its IUPAC name is magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid.

Molecular Properties

Compound Namemagnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid
PubChem CID18475087
Molecular FormulaC6H14MgO7P2+2
Molecular Weight284.42 g/mol
Exact Mass284.01
IUPAC Namemagnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid
SMILESCC1OCCC(P(=O)(O)O)C1P(=O)(O)O.[Mg+2]
InChIInChI=1S/C6H14O7P2.Mg/c1-4-6(15(10,11)12)5(2-3-13-4)14(7,8)9;/h4-6H,2-3H2,1H3,(H2,7,8,9)(H2,10,11,12);/q;+2
InChIKeySRWOUAOKBJCXDS-UHFFFAOYSA-N
XLogP-0.49
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid?
The IUPAC name of magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid (CID 18475087) is magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid.
What is the SMILES notation for magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid?
The canonical SMILES for magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid is CC1OCCC(P(=O)(O)O)C1P(=O)(O)O.[Mg+2].
What is the InChIKey of magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid?
The InChIKey is SRWOUAOKBJCXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O7P2.Mg/c1-4-6(15(10,11)12)5(2-3-13-4)14(7,8)9;/h4-6H,2-3H2,1H3,(H2,7,8,9)(H2,10,11,12);/q;+2.
What are the key properties of magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid?
magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid has a molecular weight of 284.42 g/mol, XLogP of -0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium (2-methyl-3-phosphonooxan-4-yl)phosphonic acid is sourced from PubChem (CID 18475087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).