CalFluor 555 Azide

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CalFluor 555 Azide

CalFluor 555 Azide | 1798305-99-3

Catelog Number F04-0009
Category Fluorescein FAM
Molecular Formula C41H60N7O11S2
Molecular Weight 891.1
Catalog Number Size Price Quantity
F04-0009 -- $--

Chemical Information

Purity 95%
IUPAC Name 3-[2-[2-[4-azido-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-[dimethyl(3-sulfonatopropyl)azaniumyl]ethoxy]ethoxy]phenoxy]ethoxy]ethyl-dimethylazaniumyl]propane-1-sulfonate
Canonical SMILES CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC(=C(C=C4OCCOCC[N+](C)(C)CCCS(=O)(=O)[O-])OCCOCC[N+](C)(C)CCCS(=O)(=O)[O-])N=[N+]=[N-]
InChI InChI=1S/C41H60N7O11S2/c1-45(2)31-11-13-33-38(27-31)59-39-28-32(46(3)4)12-14-34(39)41(33)35-29-36(43-44-42)40(58-24-22-56-20-18-48(7,8)16-10-26-61(52,53)54)30-37(35)57-23-21-55-19-17-47(5,6)15-9-25-60(49,50)51/h11-14,27-30H,9-10,15-26H2,1-8H3/q+1
InChI Key YSYLJQBBTLEFRT-UHFFFAOYSA-N

Product Specification

Storage -20 °C

Computed Properties

XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 23
Exact Mass 890.37922310 g/mol
Monoisotopic Mass 890.37922310 g/mol
Topological Polar Surface Area 198Ų
Heavy Atom Count 61
Formal Charge 1
Complexity 1780
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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