chempirical

(R)-Glycerol 1-(P-toluenesulfonate)

C10H14O5SCAS 41274-09-3246.28 g/mol

Open in Covalent MOL file
SOOOOHOH
AlcoholSulfonate ester

Properties

Molecular formula
C10H14O5S
Molar mass
246.28 g/mol
Exact mass
246.0562 Da
logP
0.05Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
41274-09-3
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](CO)O
InChIKey
DFQNMODTAFTGHS-SECBINFHSA-N
InChI
InChI=1S/C10H14O5S/c1-8-2-4-10(5-3-8)16(13,14)15-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3/t9-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Sn-Glyceryl 1-p-toluenesulfonate

Work with (R)-Glycerol 1-(P-toluenesulfonate)

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

Similar compounds

Propane-1,2-diyl bis(4-methylbenzene-1-sulfonate)60434-71-161 % similar (R)-Glycidyl tosylate113826-06-560 % similar (S)-Glycidyl tosylate70987-78-960 % similar Mono-6-O-(P-toluenesulfonyl)-beta-cyclodextrin67217-55-458 % similar Ethylene glycol ditosylate6315-52-257 % similar Propyl 4-methylbenzenesulfonate599-91-755 % similar (4S-Trans)-2,2-Dimethyl-4,5-bis[(4-methylphenylsulfonyloxy)methyl]-1,3-dioxolane37002-45-255 % similar (4R,5R)-4,5-Bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-2,2-dimethyl-[1,3]dioxolane51064-65-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook