(S)-2-Benzyloxycarbonylamino-pentanedioic acid 5-benzyl ester supplier

Name
(S)-2-Benzyloxycarbonylamino-pentanedioic acid 5-benzyl ester
EINECS 611-426-7
CAS No. 5680-86-4
Article Data7
CAS DataBase
Density 1.268 g/cm³
Solubility Soluble in ethanol. Insoluble in water.
Melting Point 74.0 to 78.0 °C
Formula C₂₀H₂₁NO₆
Boiling Point 594.3 °C at 760 mmHg
Molecular Weight 371.39
Flash Point 313.2 °C
Transport Information
Appearance White powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glutamicacid, N-carboxy-, N,5-dibenzyl ester, L- (6CI,7CI,8CI);Carbobenzoxy-L-glutamicacid g-benzyl ester;N-(Benzyloxycarbonyl)-L-glutamic acid g-benzyl ester;N-Carbobenzoxy-L-glutamic acid 5-benzylester;N-Carbobenzoxy-L-glutamic acid g-benzyl ester;N-Carbobenzyloxy-L-glutamic acid g-benzyl ester;NSC 169178;g-Benzyl N-(benzyloxycarbonyl)-L-glutamate;Z-Glu(OBzl)-OH;
PSA 101.93000
LogP 3.28050

(S)-2-Benzyloxycarbonylamino-pentanedioic acid 5-benzyl ester Specification

The L-Glutamic acid,N-[(phenylmethoxy)carbonyl]-, 5-(phenylmethyl) ester, with the CAS registry number 5680-86-4, is also known as N-Benzyloxycarbonyl-L-glutamic acid gamma-benzyl ester. It belongs to the product categories of Aminoacids Derivatives; Z-Amino Acids and Derivatives. This chemical's molecular formula is C₂₀H₂₁NO₆ and molecular weight is 371.38. What's more, its IUPAC name is 5-Oxo-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentanoic acid and systematic name is called (2S)-5-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-5-oxopentanoic acid. In addition, it is white powder.

Physical properties about L-Glutamic acid,N-[(phenylmethoxy)carbonyl]-, 5-(phenylmethyl) ester are: (1).ACD/LogP: 3.95; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.81; (4) ACD/LogD (pH 7.4): 0.38; (5) ACD/BCF (pH 5.5): 4.25; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 24.11; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 7; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 11; (12) Polar Surface Area: 82.14 Å²; (13) Index of Refraction: 1.575; (14) Molar Refractivity: 96.75 cm³; (15) Molar Volume: 292.7 cm³; (16) Surface Tension: 53.3 dyne/cm; (17) Density: 1.268 g/cm³; (18) Flash Point: 313.2 °C; (19) Enthalpy of Vaporization: 93.16 kJ/mol; (20) Boiling Point: 594.3 °C at 760 mmHg; (21) Vapour Pressure: 5.72E-15 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)OCc2ccccc2
(2) InChI: InChI=1/C20H21NO6/c22-18(26-13-15-7-3-1-4-8-15)12-11-17(19(23)24)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,23,24)/t17-/m0/s1
(3) InChIKey: TWIVXHQQTRSWGO-KRWDZBQOBM

Product Name

(S)-2-Benzyloxycarbonylamino-pentanedioic acid 5-benzyl ester

(S)-2-Benzyloxycarbonylamino-pentanedioic acid 5-benzyl ester Specification

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