(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

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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

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