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Cyanine 3-dCTP

CAT: 0804-HY-145972Size: 1 EachDry Ice: NoHazardous: No
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Description
Cyanine 3-dCTP is a Cy3-labeled nucleotide and can be used for DNA synthesis.
CAS Number
2365531-97-9
Product Name Alternative
Cyanine 3-6-propargylamino-2'-deoxycytidine-5'-triphosphate
UNSPSC
12352005
Target
DNA/RNA Synthesis
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Others
Smiles
O[C@H]1C[C@H](N2C=C(C#CCNC(CCCCCN(/C3=C/C=C/C(C(C)(C4=C5)C)=[N+](C4=CC=C5[S](=O)([O-])=O)CC)C(C(C(C)3C)=C6)=CC=C6[S](=O)(O)=O)=O)C(N)=NC2=O)O[C@@H]1COP(OP(OP(O)(O)=O)(O)=O)(O)=O
Molecular Formula
C43H55N6O20P3S2
Molecular Weight
1132.98
References & Citations
[1]Walsh MT, Huang X. Measurement of incorporation kinetics of non-fluorescent native nucleotides by DNA polymerases using fluorescence microscopy. Nucleic Acids Res. 2017 Dec 1;45 (21) :e175. doi: 10.1093/nar/gkx833. PMID: 29036327; PMCID: PMC5716174.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[3-[1-[6-[3-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-ynylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
CAS Number2365531-97-9
PubChem CID178203554
IUPAC Name2-[3-[1-[6-[3-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-ynylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
Molecular FormulaC43H55N6O20P3S2
Molecular Weight1133.0
XLogP-1.8
Topological Polar Surface Area412
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count21
Rotatable Bond Count20
Heavy Atom Count74
Formal Charge0
Complexity2780
SMILES
CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)NCC#CC5=CN(C(=O)N=C5N)[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(C)C
InChI
InChI=1S/C43H55N6O20P3S2/c1-6-47-32-18-16-28(73(60,61)62)22-30(32)42(2,3)36(47)13-10-14-37-43(4,5)31-23-29(74(63,64)65)17-19-33(31)48(37)21-9-7-8-15-38(51)45-20-11-12-27-25-49(41(52)46-40(27)44)39-24-34(50)35(67-39)26-66-71(56,57)69-72(58,59)68-70(53,54)55/h10,13-14,16-19,22-23,25,34-35,39,50H,6-9,15,20-21,24,26H2,1-5H3,(H8-,44,45,46,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65)/t34-,35+,39+/m0/s1
InChIKey
CVYRBMDYOKPXEC-ABNQXDDGSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-[1-[6-[3-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-ynylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
CAS: 2365531-97-9
CID: 178203554
Formula: C43H55N6O20P3S2
MW: 1133.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1133.0
XLogP3-1.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count21
Rotatable Bond Count20
Exact Mass1132.21254151
Monoisotopic Mass1132.21254151
Topological Polar Surface Area412 Ų
Heavy Atom Count74
Formal Charge0
Complexity2780
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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