Product Name

  • Name

    BOC-ARG(MTS)-OH

  • EINECS
  • CAS No. 136625-03-1
  • Density 1.28 g/cm3
  • Solubility
  • Melting Point
  • Formula C20H32N4O6S
  • Boiling Point
  • Molecular Weight 456.56
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 136625-03-1 (BOC-ARG(MTS)-OH)
  • Hazard Symbols
  • Synonyms N-ALPHA-BOC-N(G)-MESITYLENESULFONYL-L-ARGININE;N-ALPHA-T-BUTOXYCARBONYL-N-OMEGA-(2-MESITYLENESULFONYL)-L-ARGININE 2-MESITYLENESULFONYL;N-ALPHA-TERT-BUTYLOXYCARBONYL-N-(MESITYLENE-2-SULFONYL)-L-ARGININE;N-ALPHA-T-BOC-N-OMEGA-MESITYLENE-SULFONYL-L-ARGININE MONOCYCLOHEXYLAMMONIUM SALT;BOC-N-OMEGA-(MESITYLENE-2-SULFONYL)-L-ARGININE;BOC-L-ARGININE (MTS);BOC-L-ARG(MTS)-OH;BOC-L-ARG(MTS)
  • PSA 166.06000
  • LogP 4.52580

Boc-Arg(Mts)-OH Specification

The Boc-Arg(Mts)-OH is an organic compound with the formula C20H32N4O6S. The systematic name of this chemical is (2S)-2-(tert-butoxycarbonylamino)-5-[[N-(2,4,6-trimethylphenyl)sulfonylcarbamimidoyl]amino]pentanoic acid. With the CAS registry number 136625-03-1, it is also named as Boc-Arg(Mts)-OH cyclohexylammonium salt. The product's category is Arginine [Arg, R].

Physical properties about Boc-Arg(Mts)-OH are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): ; (5)#H bond acceptors: 10; (6)#H bond donors: 5; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 166.06 Å2; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 116.36 cm3; (11)Molar Volume: 355.4 cm3; (12)Polarizability: 46.13×10-24cm3; (13)Surface Tension: 45.8 dyne/cm; (14)Density: 1.28 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(O)=O)c1c(C)cc(C)cc1C
(2)InChI: InChI=1/C20H32N4O6S/c1-12-10-13(2)16(14(3)11-12)31(28,29)24-18(21)22-9-7-8-15(17(25)26)23-19(27)30-20(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,23,27)(H,25,26)(H3,21,22,24)/t15-/m0/s1
(3)InChIKey: QXWQVNSGMVITAR-HNNXBMFYBW
(4)Std. InChI: InChI=1S/C20H32N4O6S/c1-12-10-13(2)16(14(3)11-12)31(28,29)24-18(21)22-9-7-8-15(17(25)26)23-19(27)30-20(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,23,27)(H,25,26)(H3,21,22,24)/t15-/m0/s1
(5)Std. InChIKey: QXWQVNSGMVITAR-HNNXBMFYSA-N

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