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SBADA

CAT: 0931-T87368-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87368-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2376838-11-6
Target
Others
Related Pathways
Others
Bioactivity
SBADA, a sulfonated BODIPY-FL 3-amino-D-alanine, is a potent green fluorescent dye used to label peptidoglycans in bacterial cell walls in situ (λ ex =490 nm, λ em =510 nm) [1].
Smiles
[O-]C([C@H](N)CNC(CCC1=C(S(=O)([O-])=O)C=C(C=C2C(C)=C3)N1[B-](F)(F)[N+]2=C3C)=O)=O.[H+].[H+]
Molecular Formula
C17H21BF2N4O6S
Molecular Weight
458.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

sBADA
CAS Number2376838-11-6
PubChem CID138991774
IUPAC Name(2R)-2-amino-3-[3-(2,2-difluoro-10,12-dimethyl-5-sulfo-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]propanoic acid
Molecular FormulaC17H21BF2N4O6S
Molecular Weight458.2
Topological Polar Surface Area163
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity1010
SMILES
[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C(=C3)S(=O)(=O)O)CCC(=O)NC[C@H](C(=O)O)N)C)C)(F)F
InChI
InChI=1S/C17H21BF2N4O6S/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/h5-7,12H,3-4,8,21H2,1-2H3,(H,22,25)(H,26,27)(H,28,29,30)/t12-/m1/s1
InChIKey
OLMGTLBVHKBMSH-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of sBADA
CAS: 2376838-11-6
CID: 138991774
Formula: C17H21BF2N4O6S
MW: 458.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass458.1242921
Monoisotopic Mass458.1242921
Topological Polar Surface Area163 Ų
Heavy Atom Count31
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-D1690ASBADA
HY-D1690SBADA (TFA)
GTR19292626-01SBADA TFA
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