AG0024SB

17662-84-9 | D-Valine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

AG0024SB

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CAS Number	17662-84-9
Catalog Number	AG0024SB(AGN-PC-0QAYMK)
Chemical Name	D-Valine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
IUPAC Name	benzyl (2R)-2-amino-3-methylbutanoate;4-methylbenzenesulfonic acid
InChI	InChI=1S/C12H17NO2.C7H8O3S/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11H,8,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/t11-;/m1./s1
InChI Key	QWUQVUDPBXFOKF-RFVHGSKJSA-N
MDL Number	MFCD00136545
Molecular Formula	C19H25NO5S
Molecular Weight	379.4705
SMILES	CC(C)[C@@H](N)C(OCC1=CC=CC=C1)=O.O=S(C2=CC=C(C)C=C2)(O)=O
Synonyms	17662-84-9, H-D-Val-OBzl.TosOH, (R)-Benzyl 2-amino-3-methylbutanoate 4-methylbenzenesulfonate, D-Valine Benzyl Ester p-Toluenesulfonate, H-Val-OBzl.TosOH, H-D-Val-Obzl p-tosylate, D-Valine benzy ester 4-methylbenzenesulfonate, C19H25NO5S, AK-41455, AK-62685, H-D-Val-OBzl.Tos-OH, H-D-VAL-OBZL TOS-OH, H-D-Val-OBzl . p-tosylate, SCHEMBL719256, D-Valine benzyl ester tosylate, CTK8B1020, KS-00000IYQ, DTXSID70659781, KS-00000G4D, 9257AA, ANW-22833, AKOS015840384, AKOS015908666, ACM17662849, DS-15073, AX8127045, TR-008049, FT-0697837, ST24035523, V0095, D-Valine benzyl ester 4-toluenesulfonate salt, K-5423, 662H849, J-011207, I14-34515, 4-Methylbenzene-1-sulfonic acid--benzyl D-valinate (1/1), D-Valine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1), D-VALINE-OBZLP-TOSYLATE, QWUQVUDPBXFOKF-RFVHGSKJSA-N, ACN-033740, H-D-Val-OBzl.Tos, 99% - 5G 5g, A7444, 16652-76-9, (R)-Benzyl 2-amino-3-methylbutanoate 4-methylbenzenesulfote, H-D-Val-OBzl inverted exclamation mark currency p-tosylate, D-Valine benzyl ester p-toluenesulfonate; D-Valine benzyl ester tosylate,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	379.145g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	379.471g/mol
Monoisotopic Mass	379.145g/mol
Rotatable Bond Count	6
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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