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CAS No.: | 62595-11-3 |
---|---|
Name: | L-TRYPTOPHAN (INDOLE-D5) |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H7D5N2O2 |
Molecular Weight: | 209.189 |
Synonyms: | (2S)-2-Amino-3-(2, 4, 5, 6, 7-pentadeuterio-1H-indol-3-yl)propanoic acid; |
Density: | 1.396 g/cm3 |
Melting Point: | 280-285 °C (dec.)(lit.) |
Boiling Point: | 447.9 °C at 760 mmHg |
Flash Point: | 224.7 °C |
PSA: | 79.11000 |
LogP: | 1.82260 |
L-Tryptophan
<2,4,5,6,7-2H5>-L-tryptophan
Conditions | Yield |
---|---|
With diclazuril; mercaptoacetic acid In water-d2 at 110℃; for 4h; | 99% |
With trifluoroacetic acid-d1; water-d2 for 168h; Ambient temperature; repeated four times; | 4.2 g |
With DOTf at 20℃; for 8h; |
<2,4,5,6,7-2H5>-L-tryptophan
C10H5(2)H5N2O
Conditions | Yield |
---|---|
25% |
<2,4,5,6,7-2H5>-L-tryptophan
(Deuteroindolyl-3)-brenztraubensaeure
Conditions | Yield |
---|---|
With catalase at 25℃; for 2h; pH=7; | 20% |
<2,4,5,6,7-2H5>-L-tryptophan
Conditions | Yield |
---|---|
biosynthesis; |
p-acetoxycinnamoyl chloride
<2,4,5,6,7-2H5>-L-tryptophan
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 72h; |
4-acetoxy-3-methoxycinnamoyl chloride
<2,4,5,6,7-2H5>-L-tryptophan
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 72h; |
(E)-3,4-di-O-acetylcaffeoyl chloride
<2,4,5,6,7-2H5>-L-tryptophan
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 72h; |
<2,4,5,6,7-2H5>-L-tryptophan
Conditions | Yield |
---|---|
With cerium (IV) sulfate; sulfuric acid at 20℃; |
Conditions | Yield |
---|---|
With isonitrile synthase at 20℃; for 0.333333h; Enzymatic reaction; |
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The L-Tryptophan-2, 4, 5, 6, 7-d5, with the CAS registry number of 62595-11-3, is also known as L-Tryptophan-(indole-d5). It belongs to the product categories of Alphabetical Listings; Amino Acids; Amino Acids Stable Isotopes; Stable Isotopes. This chemical's molecular formula is C11H7D5N2O2 and molecular weight is 209.26. What's more, its systematic name is called (2S)-2-Amino-3-(2, 4, 5, 6, 7-pentadeuterio-1H-indol-3-yl)propanoic acid.
Physical properties about L-Tryptophan-2, 4, 5, 6, 7-d5 are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 79.11 Å2; (7)Index of Refraction: 1.697; (8)Molar Refractivity: 57.76 cm3; (9)Molar Volume: 149.8 cm3; (10)Surface Tension: 71.1 dyne/cm; (11)Density: 1.396 g/cm3; (12)Flash Point: 224.7 °C; (13)Enthalpy of Vaporization: 74.44 kJ/mol; (14)Boiling Point: 447.9 °C at 760 mmHg; (15)Vapour Pressure: 8.3E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)[C@@H](N)Cc1c2c([2H])c([2H])c([2H])c([2H])c2nc1[2H]
(2) InChI: InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1D,2D,3D,4D,6D
(3) InChIKey: QIVBCDIJIAJPQS-HLTLGYGQFE