DNP-L-Threonine

CAT: 0024-sc-294416Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-294416Size:500 mg

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CAS Number

1655-65-8

Chemical Information

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

CAS Number	1655-65-8
PubChem CID	96804
IUPAC Name	(2S)-2-(2,4-dinitroanilino)-3-hydroxybutanoic acid
Molecular Formula	C10H11N3O7
Molecular Weight	285.21
XLogP	1.5
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	391

SMILES

CC([C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C10H11N3O7/c1-5(14)9(10(15)16)11-7-3-2-6(12(17)18)4-8(7)13(19)20/h2-5,9,11,14H,1H3,(H,15,16)/t5?,9-/m0/s1

InChIKey

PWOCOTZWYFGDMO-YQFNKJDISA-N

Chemical Structure

2D Structure

CAS: 1655-65-8

CID: 96804

Formula: C10H11N3O7

MW: 285.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.21
XLogP3	1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	285.05969970
Monoisotopic Mass	285.05969970
Topological Polar Surface Area	161 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	391
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-358126A	DNP-L-tryptophan
sc-227954	DNP-L-serine
sc-227950	DNP-L-arginine
sc-358125	DNP-L-isoleucine
sc-227953	DNP-L-proline
sc-227952	DNP-L-glutamine
sc-358125A	DNP-L-isoleucine
sc-358126	DNP-L-tryptophan
sc-293830A	Boc-L-Dap (Dnp) -OH
sc-236193	Nδ-DNP-L-ornithine hydrochloride

Catalog	Name
42000016-1	L-Threonine