{7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl chloride

• ChemBase ID: 163564
• Molecular Formular: C10H13ClO4S
• Molecular Mass: 264.72582
• Monoisotopic Mass: 264.02230758
• SMILES: C1(=O)C(=O)C2CCC1(C2(C)C)CS(=O)(=O)Cl
• Canonical SMILES: O=C1C2CCC(C1=O)(C2(C)C)CS(=O)(=O)Cl
• InChI: InChI=1S/C10H13ClO4S/c1-9(2)6-3-4-10(9,5-16(11,14)15)8(13)7(6)12/h6H,3-5H2,1-2H3
• InChIKey: MXMGFUNWQUEXIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl chloride
• IUPAC Traditional name: {7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl chloride
• Synonyms: 7,7-Dimethyl-2,3-dioxo-bicyclo[2.2.1]heptane-1-methanesulfonyl Chloride; Camphorquinone-10-sulfonyl Chloride

Database IDs

• CAS Number: 82594-19-2
• PubChem SID: 162257699
• PubChem CID: 22078949

CALCULATED PROPERTIES

• Acid pKa: 17.593767
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8486216
• LogD (pH = 7.4): 1.8486216
• Log P: 1.8486216
• Molar Refractivity: 59.0033 cm^3
• Polarizability: 24.076344 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water

DETAILS

Toronto Research Chemicals - C174990

A crystalline water-soluble reagent that is useful for specific, reversible modification of the guanidino groups of arginine residues. Suitable for use with small arginine-containing molecules.

REFERENCES

• Casey, P., et al.: J. Lipid. Res., 33, 1731 (1992)
• Boivin, D., et al.: Biochem. Cell Biol., 75, 63 (1992)
• Leonard, D., et al.: J. Med. Chem., 40, 2971 (1992)
• Vojtek, A., et al.: J. Biol. Chem., 273, 19925 (1992)