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BSPOTPE

CAT: 0931-T205568-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205568-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
953792-48-8
Bioactivity
BSPOTPE binds with human serum albumin (HSA), exhibiting aggregation-induced emission (AIE) properties. It shows selectivity for albumins, such as HSA and BSA, while demonstrating no significant fluorescence response to other proteins and DNA. BSPOTPE can be used as a fluorescent probe for HSA.
Smiles
O=S(CCCOC(C=C1)=CC=C1/C(C2=CC=CC=C2)=C(C3=CC=CC=C3)/C4=CC=C(C=C4)OCCCS(=O)([O-])=O)([O-])=O.[Na+].[Na+]
Molecular Formula
C32H30Na2O8S2
Molecular Weight
652.685
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sodium 3,3'-{[(1,2-diphenylethene-1,2-diyl)bis(4,1-phenylene)]bis(oxy)}bis(propane-1-sulfonate)
CAS Number953792-48-8
PubChem CID57404305
IUPAC Namedisodium;3-[4-[(E)-1,2-diphenyl-2-[4-(3-sulfonatopropoxy)phenyl]ethenyl]phenoxy]propane-1-sulfonate
Molecular FormulaC32H30Na2O8S2
Molecular Weight652.7
Topological Polar Surface Area150
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count44
Formal Charge0
Complexity920
SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)OCCCS(=O)(=O)[O-])/C4=CC=C(C=C4)OCCCS(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C32H32O8S2.2Na/c33-41(34,35)23-7-21-39-29-17-13-27(14-18-29)31(25-9-3-1-4-10-25)32(26-11-5-2-6-12-26)28-15-19-30(20-16-28)40-22-8-24-42(36,37)38;;/h1-6,9-20H,7-8,21-24H2,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b32-31+;;
InChIKey
ZIQVFZHFAUZKPD-GLDAUVFXSA-L
Chemical Structure
2D Structure
2D structure of Sodium 3,3'-{[(1,2-diphenylethene-1,2-diyl)bis(4,1-phenylene)]bis(oxy)}bis(propane-1-sulfonate)
CAS: 953792-48-8
CID: 57404305
Formula: C32H30Na2O8S2
MW: 652.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight652.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass652.11774882
Monoisotopic Mass652.11774882
Topological Polar Surface Area150 Ų
Heavy Atom Count44
Formal Charge0
Complexity920
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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