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(E/Z) -BSPOTPE

CAT: 0013-GTR19253924-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19253924-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(E/Z) -BSPOTPE is a configurational mixture of BSPOTPE. BSPOTPE can bind to human serum albumin (HSA) and exhibits aggregation-induced emission (AIE) properties.
CAS Number
2046513-40-8
Smiles
O=S ([O-]) (CCCOC1=CC=C (C (C2=CC=CC=C2) =C (C3=CC=C (C=C3) OCCCS (=O) ([O-]) =O) C4=CC=CC=C4) C=C1) =O.[Na+].[Na+]
Molecular Formula
C32H30Na2O8S2
Molecular Weight
652.685
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E/Z)-Bspotpe
CAS Number2046513-40-8
PubChem CID59801432
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 Count14
Heavy Atom Count44
Formal Charge0
Complexity959
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 (E/Z)-Bspotpe
CAS: 2046513-40-8
CID: 59801432
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 Count14
Exact Mass652.11774882
Monoisotopic Mass652.11774882
Topological Polar Surface Area150 Ų
Heavy Atom Count44
Formal Charge0
Complexity959
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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