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CAS 2791-84-6 chemical formula,CAS 2791-84-6 MSDS,CAS 2791-84-6 chemical properties

CAS Number 2791-84-6
chem name L-Glutamic acid dibenzyl ester 4-toluenesulfonate
formula C19H21NO4.C7H8O3S
structure
synonyms L-Glutamic acid dibenzyl ester tosylate;O,O-Dibenzyl-L-glutamine toluene-p-sulphonate;Glutamic acid, dibenzyl ester, p-toluenesulfonate;L-Glutamic acid, bis(phenylmethyl) ester, 4-methylbenzenesulfonate;L-Glutamic acid dibenzyl ester p-toluenesulfonate;Glutamic acid, dibenzyl ester, p-toluenesulfonate, L-;Glu(obzl).obzl.tos;Glu(OBzl)-OBzl-P-TOs;H-Glu(Obzl)-Obzl.Tos;H-Glu(OBzl)-OBzl.TosOH;H-Glu(OBzl)-OBzl·TosOH;L-Glu(Obzl)-OBzl·p-tosylate;
properties

CAS Number 2791-84-6 properties (MSDS)

Specification

The L-Glutamic acid dibenzyl ester 4-toluenesulfonate, with the CAS registry number 2791-84-6, is also known as Dibenzyl L-glutamate p-toluenesulfonate. It belongs to the product categories of Amino Acids Derivatives; Amino Acid Derivatives; Amino Acids; Glutamic Acid [Glu, E]; Amino Acids and Derivatives. Its EINECS registry number is 220-522-4. This chemical's molecular formula is C26H29NO7S and molecular weight is 499.58. What's more, its systematic name is called (2S)-1,5-Bis(benzyloxy)-1,5-dioxopentan-2-aminium 4-methylbenzenesulfonate.

Physical properties about L-Glutamic acid dibenzyl ester 4-toluenesulfonate are: (1) ACD/LogP: 3.50; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 14; (6) ACD/BCF (pH 7.4): 217; (7) ACD/KOC (pH 5.5): 97; (8) ACD/KOC (pH 7.4): 1541; (9) #H bond acceptors: 5; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 11; (12) Polar Surface Area: 52.6 Å2; (13) Flash Point: 165.6 °C; (14) Enthalpy of Vaporization: 71.29 kJ/mol; (15) Boiling Point: 453.5 °C at 760 mmHg; (16) Vapour Pressure: 2.06E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]S(=O)(=O)c1ccc(cc1)C.O=C(OCc1ccccc1)CC[C@@H](C(=O)OCc2ccccc2)[NH3+]
(2) InChI: InChI=1/C19H21NO4.C7H8O3S/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17H,11-14,20H2;2-5H,1H3,(H,8,9,10)/t17-;/m0./s1
(3) InChIKey: HVZUAIVKRYGQRM-LMOVPXPDBA