methoxy-(methoxysulfonylmethyl)-oxophosphanium

C3H8O5PS+ — CID 130464254

IUPACmethoxy-(methoxysulfonylmethyl)-oxophosphanium
SMILESCO[P+](=O)CS(=O)(=O)OC
InChIInChI=1S/C3H8O5PS/c1-7-9(4)3-10(5,6)8-2/h3H2,1-2H3/q+1
InChIKeyDEGDNODXDGSTET-UHFFFAOYSA-N
MW187.13 g/mol
LogP0.31
Rot. Bonds4

About methoxy-(methoxysulfonylmethyl)-oxophosphanium

methoxy-(methoxysulfonylmethyl)-oxophosphanium (PubChem CID 130464254) has the molecular formula C3H8O5PS+ and a molecular weight of 187.13 g/mol. Its IUPAC name is methoxy-(methoxysulfonylmethyl)-oxophosphanium.

Molecular Properties

Compound Namemethoxy-(methoxysulfonylmethyl)-oxophosphanium
PubChem CID130464254
Molecular FormulaC3H8O5PS+
Molecular Weight187.13 g/mol
Exact Mass186.98
IUPAC Namemethoxy-(methoxysulfonylmethyl)-oxophosphanium
SMILESCO[P+](=O)CS(=O)(=O)OC
InChIInChI=1S/C3H8O5PS/c1-7-9(4)3-10(5,6)8-2/h3H2,1-2H3/q+1
InChIKeyDEGDNODXDGSTET-UHFFFAOYSA-N
XLogP0.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-(methoxysulfonylmethyl)-oxophosphanium?
The IUPAC name of methoxy-(methoxysulfonylmethyl)-oxophosphanium (CID 130464254) is methoxy-(methoxysulfonylmethyl)-oxophosphanium.
What is the SMILES notation for methoxy-(methoxysulfonylmethyl)-oxophosphanium?
The canonical SMILES for methoxy-(methoxysulfonylmethyl)-oxophosphanium is CO[P+](=O)CS(=O)(=O)OC.
What is the InChIKey of methoxy-(methoxysulfonylmethyl)-oxophosphanium?
The InChIKey is DEGDNODXDGSTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O5PS/c1-7-9(4)3-10(5,6)8-2/h3H2,1-2H3/q+1.
What are the key properties of methoxy-(methoxysulfonylmethyl)-oxophosphanium?
methoxy-(methoxysulfonylmethyl)-oxophosphanium has a molecular weight of 187.13 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(methoxysulfonylmethyl)-oxophosphanium is sourced from PubChem (CID 130464254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).