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L-Phenylalanine, L-g-glutamyl-

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Name

L-Phenylalanine, L-g-glutamyl-

EINECS 231-077-0
CAS No. 7432-24-8 Density 1.332 g/cm3
PSA 129.72000 LogP 1.08180
Solubility N/A Melting Point 194-197 °C
Formula C14H18N2O5 Boiling Point 622 °C at 760 mmHg
Molecular Weight 294.307 Flash Point 330 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7432-24-8 (H-GAMMA-GLU-PHE-OH) Hazard Symbols N/A
Synonyms

L-γ-Glutamyl-L-phenylalanine;

Article Data 4

L-Phenylalanine, L-g-glutamyl- Specification

The L-Phenylalanine, L-g-glutamyl-, with the CAS registry number of 7432-24-8, is also known as L-γ-Glutamyl-L-phenylalanine. Its EINECS registry number is 231-077-0. Its molecular formula is C14H18N2O5 and molecular weight is 294.3. What's more, its systematic name is (2S)-2-Amino-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxopentanoic acid.

Physical properties about the L-Phenylalanine, L-g-glutamyl- are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.21; (4)ACD/LogD (pH 7.4): -3.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 73.8 cm3; (15)Molar Volume: 220.9 cm3; (16)Surface Tension: 63.2 dyne/cm; (17)Density: 1.332 g/cm3; (18)Flash Point: 330 °C; (19)Enthalpy of Vaporization: 96.87 kJ/mol; (20)Boiling Point: 622 °C at 760 mmHg; (21)Vapour Pressure: 2.47E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)CCC(=O)N[C@H](C(=O)O)Cc1ccccc1
(2) InChI: InChI=1/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1
(3) InChIKey: XHHOHZPNYFQJKL-QWRGUYRKBO

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