D-Tryptophan-d5

CAT: 0024-sc-475629Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-475629Size:50 mg

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CAS Number

1202359-57-6

Chemical Information

D-Tryptophan-2,4,5,6,7-d5

See also: D-Tryptophan (annotation moved to).

CAS Number	1202359-57-6
PubChem CID	58478580
IUPAC Name	(2R)-2-amino-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acid
Molecular Formula	C11H12N2O2
Molecular Weight	209.26
XLogP	-1.1
Topological Polar Surface Area	79.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	245

SMILES

[2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])C[C@H](C(=O)O)N)[2H])[2H]

InChI

InChI=1S/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-/m1/s1/i1D,2D,3D,4D,6D

InChIKey

QIVBCDIJIAJPQS-BZVPBINISA-N

Chemical Structure

2D Structure

CAS: 1202359-57-6

CID: 58478580

Formula: C11H12N2O2

MW: 209.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.26
XLogP3	-1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	209.121261360
Monoisotopic Mass	209.121261360
Topological Polar Surface Area	79.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	245
Isotope Atom Count	5
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CS-T-62613	D-Tryptophan-d5
AR-T06157-01	Tryptophan-d5
CS-O-14189	L-Tryptophan d5
022627	L-Tryptophan-d5
TMIR-0002-01	DL-Tryptophan-d5
CS-T-96856	DL-Tryptophan-d5 (major)
453463-01	L-Tryptophan-d5 (Major)
CS-O-58641	N1-Nitroso Tryptophan-d5
AR-T03135-01	Tryptophan Metabolite (HIAA-d5)
TRC-T947205-25G	D-Tryptophan