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Fluorescent brightener 251

CAT: 0931-T86454-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86454-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16324-27-9
Target
Others
Related Pathways
Others
Bioactivity
Fluorescent brightener 251 is a dye used as an optical brightener.
Smiles
O=S(C1=CC=CC(NC2=NC(NC3=CC(S(=O)([O-])=O)=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(NCCO)=NC(NC6=CC(S(=O)([O-])=O)=CC=C6)=N5)S(=O)([O-])=O)=NC(NCCO)=N2)=C1)([O-])=O.[Na+].[Na+].[Na+].[Na+]
Molecular Formula
C36H32N12Na4O14S4
Molecular Weight
1076.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,4'-bis((4-((2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt

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CAS Number16324-27-9
PubChem CID14366579
IUPAC Nametetrasodium;5-[[4-(2-hydroxyethylamino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Molecular FormulaC36H32N12Na4O14S4
Molecular Weight1076.9
Topological Polar Surface Area452
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count26
Rotatable Bond Count16
Heavy Atom Count70
Formal Charge0
Complexity1830
SMILES
C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C36H36N12O14S4.4Na/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56;;;;/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;;;/q;4*+1/p-4/b8-7+;;;;
InChIKey
HECFMGCMMKUMIN-YZNHWISSSA-J
Chemical Structure
2D Structure
2D structure of 4,4'-bis((4-((2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt
CAS: 16324-27-9
CID: 14366579
Formula: C36H32N12Na4O14S4
MW: 1076.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1076.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count26
Rotatable Bond Count16
Exact Mass1076.0634556
Monoisotopic Mass1076.0634556
Topological Polar Surface Area452 Ų
Heavy Atom Count70
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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