Diethyl P-[[[(4-methylphenyl)sulfonyl]oxy]methyl]phosphonate

C₁₂H₁₉O₆PSCAS 31618-90-3322.31 g/mol

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Phosphate Sulfone

Properties

Molecular formula: C₁₂H₁₉O₆PS
Molar mass: 322.31 g/mol
Exact mass: 322.0640 Da
logP: 2.92Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 8

Identifiers

CAS number

31618-90-3

SMILES

CCOP(=O)(COS(=O)(=O)c1ccc(C)cc1)OCC

InChIKey

UOEFFQWLRUBDME-UHFFFAOYSA-N

InChI

InChI=1S/C12H19O6PS/c1-4-16-19(13,17-5-2)10-18-20(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Phosphonic acid, P-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, diethyl ester
Phosphonic acid, [[[(4-methylphenyl)sulfonyl]oxy]methyl]-, diethyl ester
Phosphonic acid, (hydroxymethyl)-, diethyl ester, p-toluenesulfonate
Tosyloxymethyl diethyl phosphonate
Diethyl (tosyloxy)methylphosphonate
Diethyl [[(p-toluenesulfonyl)oxy]methyl]phosphonate
[[[(4-Tolyl)sulfonyl]oxy]methyl]phosphonic acid diethyl ester
Diethyl p-tosyloxymethylphosphonate
Diethyl [[[(4-tolyl)sulfonyl]oxy]methyl]phosphonate
Diethoxyphosphorylmethyl tosylate
4-Methylbenzenesulfonic acid (diethoxyphosphoryl)methyl ester
(Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate

Work with Diethyl P-[[[(4-methylphenyl)sulfonyl]oxy]methyl]phosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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