[hydroxy(methyl)phosphoryl]methanesulfonic acid

C2H7O5PS — CID 118860000

IUPAC[hydroxy(methyl)phosphoryl]methanesulfonic acid
SMILESCP(=O)(O)CS(=O)(=O)O
InChIInChI=1S/C2H7O5PS/c1-8(3,4)2-9(5,6)7/h2H2,1H3,(H,3,4)(H,5,6,7)
InChIKeyIGKVEHPYTRUXCB-UHFFFAOYSA-N
MW174.11 g/mol
LogP-0.27
Rot. Bonds2

About [hydroxy(methyl)phosphoryl]methanesulfonic acid

[hydroxy(methyl)phosphoryl]methanesulfonic acid (PubChem CID 118860000) has the molecular formula C2H7O5PS and a molecular weight of 174.11 g/mol. Its IUPAC name is [hydroxy(methyl)phosphoryl]methanesulfonic acid.

Molecular Properties

Compound Name[hydroxy(methyl)phosphoryl]methanesulfonic acid
PubChem CID118860000
Molecular FormulaC2H7O5PS
Molecular Weight174.11 g/mol
Exact Mass173.98
IUPAC Name[hydroxy(methyl)phosphoryl]methanesulfonic acid
SMILESCP(=O)(O)CS(=O)(=O)O
InChIInChI=1S/C2H7O5PS/c1-8(3,4)2-9(5,6)7/h2H2,1H3,(H,3,4)(H,5,6,7)
InChIKeyIGKVEHPYTRUXCB-UHFFFAOYSA-N
XLogP-0.27
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 12654621
sodium;carbanide;methylphosphonic acid
CID 157106296
phosphoric acid;prop-1-ene-2-sulfonic acid
CID 174589208
aminomethylphosphonic acid;methanesulfonic acid
CID 173452453
ethanesulfonic acid;hexahydrofluoride
CID 174503180
azane;phosphoric acid;sulfuric acid
CID 173395945
cobalt;ethanesulfonic acid
CID 162463828
ethanesulfonic acid;zinc
CID 87105443
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
sodium;azane;hydrogen sulfate;phosphoric acid
CID 174408552
potassium;sodium;azane;hydride;phosphoric acid;sulfuric acid
CID 173414415
3-(phosphonomethyl)pentane-3-sulfonic acid
CID 88642729

Frequently Asked Questions

What is the IUPAC name of [hydroxy(methyl)phosphoryl]methanesulfonic acid?
The IUPAC name of [hydroxy(methyl)phosphoryl]methanesulfonic acid (CID 118860000) is [hydroxy(methyl)phosphoryl]methanesulfonic acid.
What is the SMILES notation for [hydroxy(methyl)phosphoryl]methanesulfonic acid?
The canonical SMILES for [hydroxy(methyl)phosphoryl]methanesulfonic acid is CP(=O)(O)CS(=O)(=O)O.
What is the InChIKey of [hydroxy(methyl)phosphoryl]methanesulfonic acid?
The InChIKey is IGKVEHPYTRUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O5PS/c1-8(3,4)2-9(5,6)7/h2H2,1H3,(H,3,4)(H,5,6,7).
What are the key properties of [hydroxy(methyl)phosphoryl]methanesulfonic acid?
[hydroxy(methyl)phosphoryl]methanesulfonic acid has a molecular weight of 174.11 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(methyl)phosphoryl]methanesulfonic acid is sourced from PubChem (CID 118860000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).