sulfo-Cyanine7.5 dimethyl

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sulfo-Cyanine7.5 dimethyl

sulfo-Cyanine7.5 dimethyl

Catalog Number R12-0002
Category Non-functionalized Dyes
Molecular Formula C40H37K3N2O12S4
Molecular Weight 983.28
Catalog Number Size Price Quantity
R12-0002 -- $--

Product Introduction

Sulfo-Cyanine7.5 dimethyl is a non-functionalized, water soluble cyanine dye with bright near infrared fluorescence. The dye possesses extremely high molar absorption coefficient which makes it a useful near infrared label for technical applications.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name tripotassium;1,1,3-trimethyl-2-[(2E)-2-[3-[(E)-2-(1,1,3-trimethyl-6,8-disulfonatobenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indole-6,8-disulfonate
Canonical SMILES CC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C=CC4=CC(=CC=C5C(C6=C(N5C)C=CC7=C6C=C(C=C7S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)CCC4)C.[K+].[K+].[K+]
InChI InChI=1S/C40H40N2O12S4.3K/c1-39(2)35(41(5)31-14-12-27-29(37(31)39)19-25(55(43,44)45)21-33(27)57(49,50)51)16-10-23-8-7-9-24(18-23)11-17-36-40(3,4)38-30-20-26(56(46,47)48)22-34(58(52,53)54)28(30)13-15-32(38)42(36)6;;;/h10-22H,7-9H2,1-6H3,(H3-,43,44,45,46,47,48,49,50,51,52,53,54);;;/q;3*+1/p-3
InChI Key WJGKEWOIVDPUAP-UHFFFAOYSA-K
Solubility good in water, DMF, DMSO, low in most organic solvents
Appearance green powder
  • Product Specification
Storage 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate.

Computed Properties

Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 6
Exact Mass 982.0140538 g/mol
Monoisotopic Mass 982.0140538 g/mol
Topological Polar Surface Area 269Ų
Heavy Atom Count 61
Formal Charge 0
Complexity 2290
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 4
Compound Is Canonicalized Yes
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