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Cas Database

Name	L-Tryptophan-2,4,5,6,7-d5	EINECS	N/A
CAS No.	62595-11-3	Density	1.396 g/cm³
PSA	79.11000	LogP	1.82260
Solubility	N/A	Melting Point	280-285 °C (dec.)(lit.)
Formula	C₁₁H₇D₅N₂O₂	Boiling Point	447.9 °C at 760 mmHg
Molecular Weight	209.189	Flash Point	224.7 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	(2S)-2-Amino-3-(2, 4, 5, 6, 7-pentadeuterio-1H-indol-3-yl)propanoic acid;	Article Data	6

L-Tryptophan-2,4,5,6,7-d5 Synthetic route

: 73-22-3
L-Tryptophan

: 62595-11-3
<2,4,5,6,7-2H5>-L-tryptophan

Conditions

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;

: 62595-11-3
<2,4,5,6,7-2H5>-L-tryptophan

: 1159587-77-5
C10H5(2)H5N2O

Conditions

Conditions	Yield
	25%

: 62595-11-3
<2,4,5,6,7-2H5>-L-tryptophan

: 85163-57-1
(Deuteroindolyl-3)-brenztraubensaeure

Conditions

Conditions	Yield
With catalase at 25℃; for 2h; pH=7;	20%

: 62595-11-3
<2,4,5,6,7-2H5>-L-tryptophan

Cypridina hilgendorfii: Cypridina hilgendorfii

: [D5]-cypridina luciferin

Conditions

Conditions	Yield
biosynthesis;

: 53901-95-4, 108608-06-6, 58523-18-5
p-acetoxycinnamoyl chloride

: 62595-11-3
<2,4,5,6,7-2H5>-L-tryptophan

: C22H15(2)H5N2O5

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 72h;

: 50906-12-2
4-acetoxy-3-methoxycinnamoyl chloride

: 62595-11-3
<2,4,5,6,7-2H5>-L-tryptophan

: C23H17(2)H5N2O6

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 72h;

: 82592-68-5, 98631-72-2
(E)-3,4-di-O-acetylcaffeoyl chloride

: 62595-11-3
<2,4,5,6,7-2H5>-L-tryptophan

: C24H17(2)H5N2O7

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 72h;

: 62595-11-3
<2,4,5,6,7-2H5>-L-tryptophan

: L-[2,4,6,5,6,7-(2)H5]-tryptophan radical cation

Conditions

Conditions	Yield
With cerium (IV) sulfate; sulfuric acid at 20℃;

: 551-85-9
Ribulose-5-phosphate

: 62595-11-3
<2,4,5,6,7-2H5>-L-tryptophan

: C12H5(2)H5N2O2

Conditions

Conditions	Yield
With isonitrile synthase at 20℃; for 0.333333h; Enzymatic reaction;

L-Tryptophan-2,4,5,6,7-d5 Specification

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

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