AG0024S8

17664-93-6 | D-Leucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

AG0024S8

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CAS Number	17664-93-6
Catalog Number	AG0024S8(AGN-PC-0QAZH2)
Chemical Name	D-Leucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
IUPAC Name	benzyl (2R)-2-amino-4-methylpentanoate;4-methylbenzenesulfonic acid
InChI	InChI=1S/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t12-;/m1./s1
InChI Key	QTQGHKVYLQBJLO-UTONKHPSSA-N
MDL Number	MFCD00066116
Molecular Formula	C20H27NO5S
Molecular Weight	393.4971
SMILES	CC(C)C[C@@H](N)C(OCC1=CC=CC=C1)=O.O=S(C2=CC=C(C)C=C2)(O)=O
Synonyms	17664-93-6, H-D-Leu-OBzl.TosOH, (R)-Benzyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate, H-D-LEU-OBZL TOS, H-D-LEU-OBZL P-TOSYLATE, D-Leucine Benzyl Ester p-Toluenesulfonate, D-Leucine benzyl ester tosylate, D-Leucinebenzylestertosylate, J-300164, C20H27NO5S, QTQGHKVYLQBJLO-UTONKHPSSA-N, AK-63472, H-D-Leu-OBzl?OS, H-D-Leu-OBzl.TOS, H-D-Leu-OBzl.Tos-OH, SCHEMBL715653, CTK3J1766, KS-00000KEB, DTXSID30659803, 9261AA, ANW-22834, MFCD00066116, AKOS015924126, d-leucine o-benzyl ester tosylate salt, AM81881, RTR-008050, DS-15273, AX8032316, FT-0625460, L0194, ST24035524, K-5424, 664L936, C-24877, I14-18454, 4-Methylbenzene-1-sulfonic acid--benzyl D-leucinate (1/1), D-Leucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1), H-D-Leu-OBzl.TosOH - 5G 5g, ACN-033334, A7223, L-Leucine benzyl ester p-toluenesulfonate salt, H-D-Leu-OBzl inverted exclamation mark currencyTOS, (R)-Leucine benzyl ester tosylate; D-Leucine benzyl ester p-toluenesulfonate; D-Leucine benzyl ester toluenesulfonate; D-Leucine benzyl ester tosylate, 1738-77-8,

Complexity	416
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	393.161g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	393.498g/mol
Monoisotopic Mass	393.161g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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