Name: Name:Phenylalanine, 4-sulfo-
Brand: Angene
SKU: AG00I6Q4
Rating: 90 (10 reviews)

Phenylalanine, 4-sulfo-

CAS No.:

34023-49-9

Catalog Number:

AG00I6Q4

Molecular Formula:

C9H11NO5S

Molecular Weight:

245.2523

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Product Description

Catalog Number:

AG00I6Q4

Chemical Name:

Phenylalanine, 4-sulfo-

CAS Number:

34023-49-9

Molecular Formula:

C9H11NO5S

Molecular Weight:

245.2523

MDL Number:

MFCD00270366

IUPAC Name:

(2S)-2-amino-3-(4-sulfophenyl)propanoic acid

InChI:

InChI=1S/C9H11NO5S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1

InChI Key:

ALQIUGWFHKQQHV-QMMMGPOBSA-N

SMILES:

OC(=O)[C@H](Cc1ccc(cc1)S(=O)(=O)O)N

Properties

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.249g/mol

Monoisotopic Mass:

245.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.4

Literature

Title	Journal
Conformationally-restricted amino acid analogues bearing a distal sulfonic acid show selective inhibition of system x(c)(-) over the vesicular glutamate transporter.	Bioorganic & medicinal chemistry letters 20100415