[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate

C3H9O7PS2 — CID 87563497

IUPAC[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate
SMILESCP(=O)(OS(C)(=O)=O)OS(C)(=O)=O
InChIInChI=1S/C3H9O7PS2/c1-11(4,9-12(2,5)6)10-13(3,7)8/h1-3H3
InChIKeyPWKNXLJDYMSRNT-UHFFFAOYSA-N
MW252.21 g/mol
LogP-0.24
Rot. Bonds4

About [methyl(methylsulfonyloxy)phosphoryl] methanesulfonate

[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate (PubChem CID 87563497) has the molecular formula C3H9O7PS2 and a molecular weight of 252.21 g/mol. Its IUPAC name is [methyl(methylsulfonyloxy)phosphoryl] methanesulfonate.

Molecular Properties

Compound Name[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate
PubChem CID87563497
Molecular FormulaC3H9O7PS2
Molecular Weight252.21 g/mol
Exact Mass251.95
IUPAC Name[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate
SMILESCP(=O)(OS(C)(=O)=O)OS(C)(=O)=O
InChIInChI=1S/C3H9O7PS2/c1-11(4,9-12(2,5)6)10-13(3,7)8/h1-3H3
InChIKeyPWKNXLJDYMSRNT-UHFFFAOYSA-N
XLogP-0.24
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[amino(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 175254181
methylsulfonyloxy(propan-2-yl)phosphinic acid
CID 87517622
[aminooxy(hydroxy)phosphoryl] methanesulfonate
CID 169100222
[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
silyl methanesulfonate
CID 19038808
methylsulfonyl (2Z)-penta-2,4-dienoate
CID 89441822
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
sodium methanesulfonoperoxoate
CID 59815177
amino methanesulfonate;hydrochloride
CID 87157730
CID 57459832
CID 57459832
[chlorooxy(methyl)phosphoryl] hypochlorite
CID 23175688

Frequently Asked Questions

What is the IUPAC name of [methyl(methylsulfonyloxy)phosphoryl] methanesulfonate?
The IUPAC name of [methyl(methylsulfonyloxy)phosphoryl] methanesulfonate (CID 87563497) is [methyl(methylsulfonyloxy)phosphoryl] methanesulfonate.
What is the SMILES notation for [methyl(methylsulfonyloxy)phosphoryl] methanesulfonate?
The canonical SMILES for [methyl(methylsulfonyloxy)phosphoryl] methanesulfonate is CP(=O)(OS(C)(=O)=O)OS(C)(=O)=O.
What is the InChIKey of [methyl(methylsulfonyloxy)phosphoryl] methanesulfonate?
The InChIKey is PWKNXLJDYMSRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O7PS2/c1-11(4,9-12(2,5)6)10-13(3,7)8/h1-3H3.
What are the key properties of [methyl(methylsulfonyloxy)phosphoryl] methanesulfonate?
[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate has a molecular weight of 252.21 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(methylsulfonyloxy)phosphoryl] methanesulfonate is sourced from PubChem (CID 87563497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).