[hydroxy(sulfooxy)phosphoryl] methanesulfonate

CH5O9PS2 — CID 150540601

IUPAC[hydroxy(sulfooxy)phosphoryl] methanesulfonate
SMILESCS(=O)(=O)OP(=O)(O)OS(=O)(=O)O
InChIInChI=1S/CH5O9PS2/c1-12(4,5)9-11(2,3)10-13(6,7)8/h1H3,(H,2,3)(H,6,7,8)
InChIKeyIFUDVXHWFGCLIH-UHFFFAOYSA-N
MW256.15 g/mol
LogP-1.12
Rot. Bonds4

About [hydroxy(sulfooxy)phosphoryl] methanesulfonate

[hydroxy(sulfooxy)phosphoryl] methanesulfonate (PubChem CID 150540601) has the molecular formula CH5O9PS2 and a molecular weight of 256.15 g/mol. Its IUPAC name is [hydroxy(sulfooxy)phosphoryl] methanesulfonate.

Molecular Properties

Compound Name[hydroxy(sulfooxy)phosphoryl] methanesulfonate
PubChem CID150540601
Molecular FormulaCH5O9PS2
Molecular Weight256.15 g/mol
Exact Mass255.91
IUPAC Name[hydroxy(sulfooxy)phosphoryl] methanesulfonate
SMILESCS(=O)(=O)OP(=O)(O)OS(=O)(=O)O
InChIInChI=1S/CH5O9PS2/c1-12(4,5)9-11(2,3)10-13(6,7)8/h1H3,(H,2,3)(H,6,7,8)
InChIKeyIFUDVXHWFGCLIH-UHFFFAOYSA-N
XLogP-1.12
TPSA144.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[aminooxy(hydroxy)phosphoryl] methanesulfonate
CID 169100222
nitro sulfo hydrogen phosphate
CID 154295491
bis(sulfo dihydrogen phosphate);sulfuric acid
CID 173418337
diaminophosphoryl hydrogen sulfate
CID 174774826
[amino(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 175254181
azane;sulfo dihydrogen phosphate
CID 173203542
[hydroxy(sulfooxy)phosphoryl]oxymethanethioic S-acid
CID 138756853
azane;sulfo dihydrogen phosphate;zinc
CID 175237614
[hydroxy(sulfooxy)phosphoryl]phosphonic acid
CID 150163051
methylsulfonyloxy(propan-2-yl)phosphinic acid
CID 87517622
[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 87563497
calcium;trisodium;hydride;sulfo dihydrogen phosphate
CID 173350436

Frequently Asked Questions

What is the IUPAC name of [hydroxy(sulfooxy)phosphoryl] methanesulfonate?
The IUPAC name of [hydroxy(sulfooxy)phosphoryl] methanesulfonate (CID 150540601) is [hydroxy(sulfooxy)phosphoryl] methanesulfonate.
What is the SMILES notation for [hydroxy(sulfooxy)phosphoryl] methanesulfonate?
The canonical SMILES for [hydroxy(sulfooxy)phosphoryl] methanesulfonate is CS(=O)(=O)OP(=O)(O)OS(=O)(=O)O.
What is the InChIKey of [hydroxy(sulfooxy)phosphoryl] methanesulfonate?
The InChIKey is IFUDVXHWFGCLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O9PS2/c1-12(4,5)9-11(2,3)10-13(6,7)8/h1H3,(H,2,3)(H,6,7,8).
What are the key properties of [hydroxy(sulfooxy)phosphoryl] methanesulfonate?
[hydroxy(sulfooxy)phosphoryl] methanesulfonate has a molecular weight of 256.15 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(sulfooxy)phosphoryl] methanesulfonate is sourced from PubChem (CID 150540601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).