CAS No.68262-71-5,BOC-ARG(MTS)-OH CHA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68262-71-5
Name:	BOC-ARG(MTS)-OH CHA
Article Data:	3

Formula:	C₂₆H₄₅N₅O₆S
Molecular Weight:	456.563
Synonyms:	Na-(tert-Butoxycarbonyl)-NG-(2-mesitylenesulfonyl)-L-arginine;Boc-Arg(Mts)-OH.CHA;Boc-Arg(Mts)-OH·CHA;
Density:	1.28±0.1 g/cm3(Predicted)
Boiling Point:	714 °C at 760 mmHg
Flash Point:	385.6 °C
Safety:	24/25
PSA:	192.08000
LogP:	6.50390

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Specification

The L-Ornithine, N²-[(1,1-dimethylethoxy)carbonyl]-N⁵-[imino[[(2,4,6-trimethylphenyl)sulfonyl]amino]methyl]-, with the CAS registry number 68262-71-5, is also known as Na-(tert-Butoxycarbonyl)-NG-(2-mesitylenesulfonyl)-L-arginine. It belongs to the product categories of Boc-Amino Acids and Derivative; Boc-Amino Acid Series; A - H; Amino Acids and Modified Amino Acids. This chemical's molecular formula is C₂₆H₄₅N₅O₆S and molecular weight is 555.73. What's more, its systematic name is called (2S)-2-(tert-Butoxycarbonylamino)-5-[[N-(2,4,6-trimethylphenyl)sulfonylcarbamimidoyl]amino]pentanoic acid.

Physical properties about L-Ornithine, N²-[(1,1-dimethylethoxy)carbonyl]-N⁵-[imino[[(2,4,6-trimethylphenyl)sulfonyl]amino]methyl]- are: (1) ACD/LogP: 4.26; (2) # of Rule of 5 Violations: 3; (3) ACD/LogD (pH 5.5): 1.75; (4) ACD/LogD (pH 7.4): 1.76; (5) #H bond acceptors: 11; (6) #H bond donors: 7; (7) #Freely Rotating Bonds: 10; (8) Polar Surface Area: 192.08 Å²; (9) Flash Point: 385.6 °C; (10) Enthalpy of Vaporization: 109.58 kJ/mol; (11) Boiling Point: 714 °C at 760 mmHg; (12) Vapour Pressure: 2.15E-21 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NC1CCCCC1.OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCNC(=N)NS(=O)(=O)c1c(C)cc(C)cc1C
(2) InChI: InChI=1/C20H32N4O6S.C6H13N/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;7-6-4-2-1-3-5-6/h10-11,15H,7-9H2,1-6H3,(H,23,27)(H,25,26)(H3,21,22,24);6H,1-5,7H2/t15-;/m0./s1
(3) InChIKey: YZLIRHMRDOFTHQ-RSAXXLAABZ