Ac-3,5-dinitro-Tyr-OH

CAT: 0926-FA107914-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FA107914-01Size:5 g

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CAS Number

20767-00-4

MDL Number

MFCD00024239

Smiles

CC (=O) N[C@@H] (CC1=CC (=C (C (=C1) [N+] (=O) [O-]) O) [N+] (=O) [O-]) C (=O) O

Molecular Formula

C11H11N3O8

Molecular Weight

313.22 g/mol

Controlled

Chemical Information

N-Acetyl-3,5-dinitro-l-tyrosine

CAS Number	20767-00-4
PubChem CID	1551646
IUPAC Name	(2S)-2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
Molecular Formula	C11H11N3O8
Molecular Weight	313.22
XLogP	1
Topological Polar Surface Area	178
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	447

SMILES

CC(=O)N[C@@H](CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H11N3O8/c1-5(15)12-7(11(17)18)2-6-3-8(13(19)20)10(16)9(4-6)14(21)22/h3-4,7,16H,2H2,1H3,(H,12,15)(H,17,18)/t7-/m0/s1

InChIKey

CFKZKLOBRPCKTF-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 20767-00-4

CID: 1551646

Formula: C11H11N3O8

MW: 313.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.22
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	313.05461432
Monoisotopic Mass	313.05461432
Topological Polar Surface Area	178 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	447
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
FA107873-01	Ac-3,5-dinitro-Tyr-OEt
FA107954-01	Ac-Tyr-Tyr-OH
FA107952-01	Ac-Tyr-Phe-OH
FA108261-01	Ac-D-Phe-Tyr-OH
FA110462-01	Ac-Ser-Gln-Asn-Tyr-OH
FT109471-01	H-Tyr-Tyr-Tyr-OH
FT111525-01	Z-Tyr-Tyr-OH
FT108219-01	H-Tyr-Tyr-OH
FA109074-01	Ac-Tyr (PO3H2) -Glu-Glu-Ile-Glu-OH
FT110178-01	H-Tyr-Tyr-Tyr-Tyr-Tyr-Tyr-OH trifluoroacetate salt