(R)-(-)-Glycidyl-4-nitrobenzenesulfonate

C9H9NO6SCAS 123750-60-7259.23 g/mol

Open in Covalent MOL file
OOSOON+OO−
EpoxideEtherNitroSulfonate ester

Properties

Molecular formula
C9H9NO6S
Molar mass
259.23 g/mol
Exact mass
259.0151 Da
logP
0.70Crippen estimate
Polar surface area
99.0 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
123750-60-7
SMILES
C1[C@@H](O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChIKey
CXYDYDCHYJXOEY-MRVPVSSYSA-N
InChI
InChI=1S/C9H9NO6S/c11-10(12)7-1-3-9(4-2-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m1/s1

Weigh it out

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

Work with (R)-(-)-Glycidyl-4-nitrobenzenesulfonate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-(+)-Glycidyl-4-nitrobenzoate118712-60-0Enantiomer

Similar compounds

(R)-Glycidyl tosylate113826-06-559 % similar 2-((4-Nitrophenoxy)methyl)oxirane5255-75-459 % similar (S)-Glycidyl tosylate70987-78-959 % similar Pentafluorophenyl 4-nitrobenzenesulfonate244633-31-650 % similar 4-Nitrobenzenesulfonic acid138-42-145 % similar 1-(Methylsulfonyl)-4-nitrobenzene2976-30-945 % similar 4-Nitrobenzenesulfonamide6325-93-545 % similar 4-Nitrobenzenesulfonyl chloride98-74-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-Glycidyl 3-nitrobenzenesulfonate115314-14-2 (R)-Glycidyl 3-nitrobenzenesulfonate115314-17-5

Elsewhere

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