DNP-L-tryptophan

CAT: 0024-sc-358126Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-358126Size:100 mg

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CAS Number

1655-51-2

Chemical Information

N-(2,4-Dinitrophenyl)-L-tryptophan

CAS Number	1655-51-2
PubChem CID	101193
IUPAC Name	(2S)-2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid
Molecular Formula	C17H14N4O6
Molecular Weight	370.3
XLogP	3.8
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	577

SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6/c22-17(23)15(7-10-9-18-13-4-2-1-3-12(10)13)19-14-6-5-11(20(24)25)8-16(14)21(26)27/h1-6,8-9,15,18-19H,7H2,(H,22,23)/t15-/m0/s1

InChIKey

LAPUOPKWYOOCKL-HNNXBMFYSA-N

Chemical Structure

2D Structure

CAS: 1655-51-2

CID: 101193

Formula: C17H14N4O6

MW: 370.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	370.3
XLogP3	3.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	370.09133418
Monoisotopic Mass	370.09133418
Topological Polar Surface Area	157 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	577
Isotope Atom Count	0
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
AB0307	L-Tryptophan