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Cy3B

CAT: 0931-T86120-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T86120-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
228272-69-3
Target
Others
Related Pathways
Others
Bioactivity
Cy3B is an enhanced form of Cy3 (Cyanine3) dye, which is a fluorescent dye that emits light within the green to orange wavelength range.
Smiles
CC1(C)C2=C3C(OC4C(=C3)C5=[N+](CC4)C=6C(C5(C)C)=CC(CC([O-])=O)=CC6)CCN2C=7C1=CC(S(=O)(=O)O)=CC7
Molecular Formula
C31H32N2O6S
Molecular Weight
560.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cy3B carboxylic acid
CAS Number228272-69-3
PubChem CID169450568
IUPAC Name2-(5,5,27,27-tetramethyl-24-sulfo-16-oxa-12-aza-20-azoniaheptacyclo[15.11.0.03,15.04,12.06,11.020,28.021,26]octacosa-1,3,6(11),7,9,20(28),21(26),22,24-nonaen-8-yl)acetate
Molecular FormulaC31H32N2O6S
Molecular Weight560.7
XLogP3.7
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count40
Formal Charge0
Complexity1330
SMILES
CC1(C2=C(C=CC(=C2)CC(=O)[O-])N3C1=C4C=C5C(CC[N+]6=C5C(C7=C6C=CC(=C7)S(=O)(=O)O)(C)C)OC4CC3)C
InChI
InChI=1S/C31H32N2O6S/c1-30(2)21-13-17(14-27(34)35)5-7-23(21)32-11-9-25-19(28(30)32)16-20-26(39-25)10-12-33-24-8-6-18(40(36,37)38)15-22(24)31(3,4)29(20)33/h5-8,13,15-16,25-26H,9-12,14H2,1-4H3,(H-,34,35,36,37,38)
InChIKey
KBBYRHUMTYKEFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cy3B carboxylic acid
CAS: 228272-69-3
CID: 169450568
Formula: C31H32N2O6S
MW: 560.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.7
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass560.19810792
Monoisotopic Mass560.19810792
Topological Polar Surface Area118 Ų
Heavy Atom Count40
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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