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DBCO-Sulfo-Cy3 (1 mg)

CAT: 1106-JBS-CLK-A140-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1106-JBS-CLK-A140-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1782950-79-1
Certification
RUO
Purity
> 90 % (HPLC)
Solubility
DMF, DMSO, water
Molecular Formula
C 50 H 54 N 4 O 11 S 3 (free acid)
Molecular Weight
983.18 (free acid)
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .
Appearance
Red solid
Excitation
553 nm
Emission
563 nm

Chemical Information

DBCO-Cy3
CAS Number1782950-79-1
PubChem CID146026283
IUPAC Name3-[2-[(E,3E)-3-[1-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate
Molecular FormulaC50H54N4O11S3
Molecular Weight983.2
XLogP5.1
Topological Polar Surface Area247
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count68
Formal Charge0
Complexity2350
SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)[O-])C
InChI
InChI=1S/C50H54N4O11S3/c1-49(2)40-32-38(67(60,61)62)23-25-43(40)52(45(49)18-12-19-46-50(3,4)41-33-39(68(63,64)65)24-26-44(41)53(46)30-13-31-66(57,58)59)29-11-5-6-20-47(55)51-28-27-48(56)54-34-37-16-8-7-14-35(37)21-22-36-15-9-10-17-42(36)54/h7-10,12,14-19,23-26,32-33H,5-6,11,13,20,27-31,34H2,1-4H3,(H3-,51,55,57,58,59,60,61,62,63,64,65)
InChIKey
ALLGTQOHAQKUOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-Cy3
CAS: 1782950-79-1
CID: 146026283
Formula: C50H54N4O11S3
MW: 983.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight983.2
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass982.29512207
Monoisotopic Mass982.29512207
Topological Polar Surface Area247 Ų
Heavy Atom Count68
Formal Charge0
Complexity2350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes