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| CAS No.: | 87828-86-2 |
|---|---|
| Name: | L-Leucine-5,5,5-d3 |
| Molecular Structure: | |
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| Formula: | C6H10D3NO2 |
| Molecular Weight: | 134.19 |
| Synonyms: | 1: PN:WO2009079413 PAGE: 7 claimed sequence;L-(2H3-Methyl)leucine; |
| Density: | 1.06 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 225.772 °C at 760 mmHg |
| Flash Point: | 90.344 °C |
| PSA: | 63.32000 |
| LogP: | 1.14470 |
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Specification
The L-Leucine-5,5,5-d3, with CAS registry number 87828-86-2, belongs to the following product categories: (1)13C, 2H, 15N; (2)Alphabetical Listings; (3)Amino Acids; (4)Biomolecular MS; (5)I-LStable Isotopes; (6)Metabolic Labeling Products; (7)Stable Isotopes; (8)Metabolic Research. It has the systematic name of L-(5,5,5-~2~H_3_)leucine. And the chemical formula of this chemical is C6H10D3NO2.
Physical properties of L-Leucine-5,5,5-d3: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.32 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 34.863 cm3; (15)Molar Volume: 126.632 cm3; (16)Polarizability: 13.821×10-24cm3; (17)Surface Tension: 39.002 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 90.344 °C; (20)Enthalpy of Vaporization: 50.93 kJ/mol; (21)Boiling Point: 225.772 °C at 760 mmHg; (22)Vapour Pressure: 0.031 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C(C[C@H](N)C(=O)O)C
(2)InChI: InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t4?,5-
(3)InChIKey: ROHFNLRQFUQHCH-LONBSJBQFQ
(4)Std. InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t4?,5-
(5)Std. InChIKey: ROHFNLRQFUQHCH-LONBSJBQSA-N