sBADA

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sBADA

sBADA

Catelog Number A21-0011
Category Fluorescent Probes for Imaging Bacteria
Molecular Formula C17H20BF2N4O6S.Na.C2HF3O2
Molecular Weight 594.25
Catalog Number Size Price Quantity
A21-0011 -- $--

Product Introduction

sBADA is a green sulfonated BODIPY-FL 3-amino-D-alanine (sBADA) or fluorescent D-amino acid (FFDA). Labels peptidoglycans in live bacteria. Sulfonated from of BADA with increased hydrophilicity.

Chemical Information

Synonyms Sodium (R)-3-(3-((2-amino-2-carboxyethyl)amino)-3-oxopropyl)-5,5-difluoro-7,9-dimethyl-2-sulfonato-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide trifluoroacetate
Purity ≥95% (HPLC)
IUPAC Name sodium;4-[3-[[(2R)-2-amino-2-carboxyethyl]amino]-3-oxopropyl]-2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaene-5-sulfonate;2,2,2-trifluoroacetic acid
Canonical SMILES [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C(=C3)S(=O)(=O)[O-])CCC(=O)NCC(C(=O)O)N)C)C)(F)F.C(=O)(C(F)(F)F)O.[Na+]
InChI InChI=1S/C17H21BF2N4O6S.C2HF3O2.Na/c1-9-5-10(2)23-14(9)6-11-7-15(31(28,29)30)13(24(11)18(23,19)20)3-4-16(25)22-8-12(21)17(26)27;3-2(4,5)1(6)7;/h5-7,12H,3-4,8,21H2,1-2H3,(H,22,25)(H,26,27)(H,28,29,30);(H,6,7);/q;;+1/p-1/t12-;;/m1../s1
InChI Key CDWMQIYWYNKBIM-CURYUGHLSA-M
Solubility DMSO

Product Specification

Excitation 490
Emission 510
Storage Store at -20°C

Computed Properties

Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 7
Exact Mass 594.0991001 g/mol
Monoisotopic Mass 594.0991001 g/mol
Topological Polar Surface Area 203Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 1100
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 3
Compound Is Canonicalized Yes
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