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Sulfo-Cyanine5.5 amine

CAT: 0931-T87472-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87472-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2183440-45-9
Target
Others
Related Pathways
Others
Bioactivity
Sulfo-Cyanine5.5 amine, which consists of four sulfonate groups and is highly hydrophilic, is an amine-containing fluorescent dye. The aliphatic primary amine group can be coupled with various electrophiles (activated esters, epoxides, etc.) . Sulfo-Cyanine5.5 amine is utilized in far-red/NIR applications (such as in vivo imaging) and enzymatic transamination labeling [1].
Smiles
CC1(C)C=2C=3C(=C(S(=O)(=O)O)C=C(S(=O)(=O)O)C3)C=CC2N(CCCCCC(NCCCCCCN)=O)C1=CC=CC=CC=4C(C)(C)C5=C([N+]4C)C=CC=6C5=CC(S(=O)(=O)O)=CC6S(=O)(=O)[O-]
Molecular Formula
C46H56N4O13S4
Molecular Weight
1001.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sulfo-Cyanine5.5 amine
CAS Number2183440-45-9
PubChem CID164886666
IUPAC Name2-[(1E,3E,5E)-5-[3-[6-(6-aminohexylamino)-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene]penta-1,3-dienyl]-1,1,3-trimethyl-8-sulfobenzo[e]indol-3-ium-6-sulfonate
Molecular FormulaC46H56N4O13S4
Molecular Weight1001.2
XLogP2.2
Topological Polar Surface Area315
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count18
Heavy Atom Count67
Formal Charge0
Complexity2360
SMILES
CC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)[O-])C)/C=C/C=C/C=C/4\C(C5=C(N4CCCCCC(=O)NCCCCCCN)C=CC6=C5C=C(C=C6S(=O)(=O)O)S(=O)(=O)O)(C)C)C
InChI
InChI=1S/C46H56N4O13S4/c1-45(2)40(49(5)36-21-19-32-34(43(36)45)26-30(64(52,53)54)28-38(32)66(58,59)60)16-10-8-11-17-41-46(3,4)44-35-27-31(65(55,56)57)29-39(67(61,62)63)33(35)20-22-37(44)50(41)25-15-9-12-18-42(51)48-24-14-7-6-13-23-47/h8,10-11,16-17,19-22,26-29H,6-7,9,12-15,18,23-25,47H2,1-5H3,(H4-,48,51,52,53,54,55,56,57,58,59,60,61,62,63)
InChIKey
OAGVKRLXJNUBFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfo-Cyanine5.5 amine
CAS: 2183440-45-9
CID: 164886666
Formula: C46H56N4O13S4
MW: 1001.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1001.2
XLogP32.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count18
Exact Mass1000.27267255
Monoisotopic Mass1000.27267255
Topological Polar Surface Area315 Ų
Heavy Atom Count67
Formal Charge0
Complexity2360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-D1376ASulfo-Cyanine5.5 amine
HY-D1376-01Sulfo-Cyanine5.5 amine (potassium)
233C0Sulfo-Cyanine5 amine, 5 mg
GTR19288902-01Sulfo-Cyanine5.5 amine potassium
273C0Sulfo-Cyanine5.5 amine, 5 mg
173C0Sulfo-Cyanine5.5 amine, 1 mg
673C0Sulfo-Cyanine5.5 amine, 100 mg
573C0Sulfo-Cyanine5.5 amine, 50 mg
473C0Sulfo-Cyanine5.5 amine, 25 mg
633C0Sulfo-Cyanine5 amine, 100 mg

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