AG001WTF

16652-75-8 | L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

AG001WTF

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	16652-75-8
Catalog Number	AG001WTF(AGN-PC-0Q8XT7)
Chemical Name	L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
EC Number	240-701-0
IUPAC Name	benzyl (2S,3S)-2-amino-3-methylpentanoate;4-methylbenzenesulfonic acid
InChI	InChI=1S/C13H19NO2.C7H8O3S/c1-3-10(2)12(14)13(15)16-9-11-7-5-4-6-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,10,12H,3,9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t10-,12-;/m0./s1
InChI Key	XAWVXTVKSVYPNE-JGAZGGJJSA-N
MDL Number	MFCD00050511
Molecular Formula	C20H27NO5S
Molecular Weight	393.4971
SMILES	Cc1ccc(cc1)S(=O)(=O)O.CC[C@@H]([C@@H](C(=O)OCc1ccccc1)N)C
Synonyms	16652-75-8, H-Ile-Obzl Tos, H-Ile-OBzl.Tos, L-isoleucine benzyl ester tosylate, L-Isoleucine benzyl ester 4-toluenesulphonate, (2S,3S)-Benzyl 2-amino-3-methylpentanoate 4-methylbenzenesulfonate, O-Benzyl-L-isoleucine toluene-p-sulphonate, HIle-OBzl?os, EINECS 240-701-0, H-L-Ile-OBzl*Tos, PubChem18962, SCHEMBL1287363, Isoleucine benzyl ester tosylate, CTK0I2390, ANW-41933, MFCD00050511, AKOS015842533, AKOS015909594, AM81853, AS-49207, SC-09631, 652l758, TC-066793, FT-0627858, A810744, H-Ile-OBzl inverted exclamation mark currencyTosOH, I14-3163, L-Isoleucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1), (2S,3S)-2-amino-3-methylpentanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid, 4-methylbenzenesulfonic acid; (phenylmethyl) (2S,3S)-2-azanyl-3-methyl-pentanoate, H-Ile-OBzl, H-ILE-OBZL P-TOSYLATE, Glyoxal bis(diallyl acetal), 1,1,2,2-Tetraallyloxyethane, C20H27NO5S, H-lle-OBzl.Tos, 99% - 5G 5g, ACN-033311, C13-H19-N-O2.C7-H8-O3-S, B-7407, H-lle-OBzl inverted exclamation mark currencyTOS,

Complexity	418
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number