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14341-79-8

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Basic Information
CAS No.: 14341-79-8
Name: DL-GLUTAMIC-2,3,3,4,4-D5 ACID
Molecular Structure:
Molecular Structure of 14341-79-8 (DL-GLUTAMIC-2,3,3,4,4-D5 ACID)
Formula: C5H4D5NO4
Molecular Weight: 152.091
Synonyms: DL-Glutamic-2,3,3,4,4-d5acid;Glutamic-2,3,3,4,4-d5 acid, DL- (8CI);
Density: 1.458 g/cm3
Melting Point: 185 °C (dec)(lit.)
Boiling Point: 333.783 °C at 760 mmHg
Flash Point: 155.667 °C
PSA: 100.62000
LogP: -0.03660
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Specification

The Glutamic-2,3,3,4,4-d5 acid is an organic compound with the formula C5H4D5NO4. The systematic name of this chemical is (2,3,3,4,4-2H5)Glutamic acid. With the CAS registry number 14341-79-8, it is also named as DL-Glutamic-2,3,3,4,4-d5 Acid. The product's categories are Amino Acids 13C, 2H, 15N; Alphabetical Listings; G-H; Stable Isotopes.

Physical properties about Glutamic-2,3,3,4,4-d5 acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 100.62 Å2; (9)Index of Refraction: 1.522; (10)Molar Refractivity: 31.836 cm3; (11)Molar Volume: 104.375 cm3; (12)Polarizability: 12.621×10-24cm3; (13)Surface Tension: 69.243 dyne/cm; (14)Density: 1.458 g/cm3; (15)Flash Point: 155.667 °C; (16)Enthalpy of Vaporization: 63.385 kJ/mol; (17)Boiling Point: 333.783 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])(C(=O)O)N
(2)InChI: InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/i1D2,2D2,3D
(3)InChIKey: WHUUTDBJXJRKMK-UXXIZXEIEV
(4)Std. InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/i1D2,2D2,3D
(5)Std. InChIKey: WHUUTDBJXJRKMK-UXXIZXEISA-N