magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane

C3H5MgO4P — CID 91617932

IUPACmagnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane
SMILESC[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C3H7O4P.Mg/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/t2-,3+;/m0./s1
InChIKeyJKEUXMVBQSXEFS-LJUKVTEVSA-L
MW160.35 g/mol
LogP-1.74
Rot. Bonds1

About magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane

magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane (PubChem CID 91617932) has the molecular formula C3H5MgO4P and a molecular weight of 160.35 g/mol. Its IUPAC name is magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namemagnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane
PubChem CID91617932
Molecular FormulaC3H5MgO4P
Molecular Weight160.35 g/mol
Exact Mass159.98
IUPAC Namemagnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane
SMILESC[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Mg+2]
InChIInChI=1S/C3H7O4P.Mg/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/t2-,3+;/m0./s1
InChIKeyJKEUXMVBQSXEFS-LJUKVTEVSA-L
XLogP-1.74
TPSA75.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.35
LogP ≤ 5-1.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane?
The IUPAC name of magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane (CID 91617932) is magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane?
The canonical SMILES for magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane is C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Mg+2].
What is the InChIKey of magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane?
The InChIKey is JKEUXMVBQSXEFS-LJUKVTEVSA-L. The full InChI is InChI=1S/C3H7O4P.Mg/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/t2-,3+;/m0./s1.
What are the key properties of magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane?
magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane has a molecular weight of 160.35 g/mol, XLogP of -1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium [(2R,3S)-3-methyloxiran-2-yl]-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 91617932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).