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CY5-YNE

CAT: 0931-T18950-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T18950-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1345823-20-2
Target
Others
Related Pathways
Others
Purity
0.9998
Bioactivity
CY5-YNE is a CY5-derived dye. CY5 is an amine-reactive fluorophore with excitation/emission wavelengths of 650/670 nm, commonly used for labelling nucleic acids and proteins.
Smiles
O=C(NCC#C)CCCCCN1C2=CC=C(C=C2C(C1=CC=CC=CC3=[N+](C=4C=CC(=CC4C3(C)C)S(=O)(=O)[O-])CC)(C)C)S(=O)(=O)O
Molecular Formula
C36H43N3O7S2
Molecular Weight
693.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-((1E,3E,5E)-5-(3,3-dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
CAS Number1345823-20-2
PubChem CID132989613
IUPAC Name2-[5-[3,3-dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
Molecular FormulaC36H43N3O7S2
Molecular Weight693.9
XLogP4.4
Topological Polar Surface Area164
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count48
Formal Charge0
Complexity1570
SMILES
CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)NCC#C)(C)C
InChI
InChI=1S/C36H43N3O7S2/c1-7-22-37-34(40)17-13-10-14-23-39-31-21-19-27(48(44,45)46)25-29(31)36(5,6)33(39)16-12-9-11-15-32-35(3,4)28-24-26(47(41,42)43)18-20-30(28)38(32)8-2/h1,9,11-12,15-16,18-21,24-25H,8,10,13-14,17,22-23H2,2-6H3,(H2-,37,40,41,42,43,44,45,46)
InChIKey
SDCASIAEYVOHMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((1E,3E,5E)-5-(3,3-dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
CAS: 1345823-20-2
CID: 132989613
Formula: C36H43N3O7S2
MW: 693.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight693.9
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass693.25424307
Monoisotopic Mass693.25424307
Topological Polar Surface Area164 Ų
Heavy Atom Count48
Formal Charge0
Complexity1570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes