(Diethoxyphosphoryl)methyl methanesulfonate

C6H15O6PS — CID 21614542

IUPACdiethoxyphosphorylmethyl methanesulfonate
SMILESCCOP(=O)(COS(=O)(=O)C)OCC
InChIInChI=1S/C6H15O6PS/c1-4-10-13(7,11-5-2)6-12-14(3,8)9/h4-6H2,1-3H3
InChIKeyCFXHICSKKKWNKL-UHFFFAOYSA-N
MW246.22 g/mol
LogP-0.30
Rot. Bonds7

About (Diethoxyphosphoryl)methyl methanesulfonate

(Diethoxyphosphoryl)methyl methanesulfonate (PubChem CID 21614542) has the molecular formula C6H15O6PS and a molecular weight of 246.22 g/mol. Its IUPAC name is diethoxyphosphorylmethyl methanesulfonate.

Molecular Properties

Compound Name(Diethoxyphosphoryl)methyl methanesulfonate
PubChem CID21614542
Molecular FormulaC6H15O6PS
Molecular Weight246.22 g/mol
Exact Mass246.03
IUPAC Namediethoxyphosphorylmethyl methanesulfonate
SMILESCCOP(=O)(COS(=O)(=O)C)OCC
InChIInChI=1S/C6H15O6PS/c1-4-10-13(7,11-5-2)6-12-14(3,8)9/h4-6H2,1-3H3
InChIKeyCFXHICSKKKWNKL-UHFFFAOYSA-N
XLogP-0.30
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity282

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (methanesulfonylmethyl)phosphonate
CID 533797
Ethyl (diethoxyphosphoryl)methanesulfonate
CID 10934205
Diethyl [Fluoro(methylsulfonyl)methyl]phosphonate
CID 168181558
Diethyl (methanesulfinylmethyl)phosphonate
CID 11031207
Sodium(diethoxyphosphoryl)methanesulfinate
CID 165587580
Diethyl ((fluorosulfonyl)methyl)phosphonate
CID 165600261
Diethyl [[(Trifluoromethyl)sulfonyl]methyl]phosphonate
CID 21847491
Trifluoromethyl diethoxyphosphorylmethanesulfonate
CID 53888503
(1-Dimethoxyphosphoryl-2,2,2-trifluoroethyl) methanesulfonate
CID 88369183
(1-Diethoxyphosphoryl-2,2,2-trifluoroethyl) methanesulfonate
CID 130448982
Ethoxy-[fluoro(methylsulfonyl)methyl]-oxophosphanium
CID 130464217
Ethoxy-[ethoxysulfonyl(fluoro)methyl]-oxophosphanium
CID 130464260

Frequently Asked Questions

What is the IUPAC name of (Diethoxyphosphoryl)methyl methanesulfonate?
The IUPAC name of (Diethoxyphosphoryl)methyl methanesulfonate (CID 21614542) is diethoxyphosphorylmethyl methanesulfonate.
What is the SMILES notation for (Diethoxyphosphoryl)methyl methanesulfonate?
The canonical SMILES for (Diethoxyphosphoryl)methyl methanesulfonate is CCOP(=O)(COS(=O)(=O)C)OCC.
What is the InChIKey of (Diethoxyphosphoryl)methyl methanesulfonate?
The InChIKey is CFXHICSKKKWNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O6PS/c1-4-10-13(7,11-5-2)6-12-14(3,8)9/h4-6H2,1-3H3.
What are the key properties of (Diethoxyphosphoryl)methyl methanesulfonate?
(Diethoxyphosphoryl)methyl methanesulfonate has a molecular weight of 246.22 g/mol, XLogP of -0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Diethoxyphosphoryl)methyl methanesulfonate is sourced from PubChem (CID 21614542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).