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L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-methyl ester

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Name

L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-methyl ester

EINECS N/A
CAS No. 4652-65-7 Density 1.272 g/cm3
PSA 101.93000 LogP 1.71010
Solubility N/A Melting Point 76℃
Formula C14H17NO6 Boiling Point 510.6 °C at 760 mmHg
Molecular Weight 295.292 Flash Point 262.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4652-65-7 (Z-GLU(OME)-OH) Hazard Symbols N/A
Synonyms

Glutamicacid, N-carboxy-, N-benzyl 5-methyl ester (6CI,7CI);Glutamic acid, N-carboxy-,N-benzyl 5-methyl ester, L- (8CI);Methyl N-carbobenzoxy-L-glutamate;N-(Benzyloxycarbonyl)-L-glutamic acid 5-methyl ester;N-(Benzyloxycarbonyl)-L-glutamic acid g-methyl ester;N-Carbobenzoxy-L-glutamic acid g-methyl ester;N-Carbobenzyloxy-g-methyl-L-glutamate;NSC 88483;Z-Glu(Ome)-OH;

Article Data 16

L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-methyl ester Specification

This chemical is called L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-methyl ester, and its systematic name is (2S)-2-{[(benzyloxy)carbonyl]amino}-5-methoxy-5-oxopentanoic acid (non-preferred name). With the molecular formula of C14H17NO6, its molecular weight is 295.29. The CAS registry number of this chemical is 4652-65-7. Additionally, it should be sealed at the temperature of -15°C.

Other characteristics of the L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-methyl ester can be summarised as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): -1.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.68; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 82.14 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 72.26 cm3; (15)Molar Volume: 232 cm3; (16)Polarizability: 28.64×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.272 g/cm3; (19)Flash Point: 262.6 °C; (20)Enthalpy of Vaporization: 82.27 kJ/mol; (21)Boiling Point: 510.6 °C at 760 mmHg; (22)Vapour Pressure: 3.01E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)CCC(=O)OC
2.InChI: InChI=1/C14H17NO6/c1-20-12(16)8-7-11(13(17)18)15-14(19)21-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,17,18)/t11-/m0/s1 3.InChIKey: JSNVOAWDAFVIKY-NSHDSACABV

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