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6-TET phosphoramidite

CAT: 0931-T85516-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T85516-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
877049-90-6
Target
Others
Related Pathways
Others
Bioactivity
6-TET phosphoramidite (5′-Tetrachlorofluorescein phosphoramidite) serves as a fluorescent dye to label oligonucleotides with fluorescein [1].
Smiles
N#CCCOP(OCCCCCCNC(=O)C1=CC(Cl)=C2C(=O)OC3(C4=CC(Cl)=C(OC(=O)C(C)(C)C)C=C4OC5=CC(OC(=O)C(C)(C)C)=C(Cl)C=C53)C2=C1Cl)N(C(C)C)C(C)C
Molecular Formula
C46H54Cl4N3O10P
Molecular Weight
981.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-TET phosphoramidite
CAS Number877049-90-6
PubChem CID117064749
IUPAC Name[2',4,7,7'-tetrachloro-6-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoyl]-6'-(2,2-dimethylpropanoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2,2-dimethylpropanoate
Molecular FormulaC46H54Cl4N3O10P
Molecular Weight981.7
XLogP11
Topological Polar Surface Area163
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count21
Heavy Atom Count64
Formal Charge0
Complexity1620
SMILES
CC(C)N(C(C)C)P(OCCCCCCNC(=O)C1=CC(=C2C(=C1Cl)C3(C4=CC(=C(C=C4OC5=CC(=C(C=C53)Cl)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)Cl)OC2=O)Cl)OCCC#N
InChI
InChI=1S/C46H54Cl4N3O10P/c1-25(2)53(26(3)4)64(59-19-15-16-51)58-18-14-12-11-13-17-52-40(54)27-20-32(49)37-38(39(27)50)46(63-41(37)55)28-21-30(47)35(61-42(56)44(5,6)7)23-33(28)60-34-24-36(31(48)22-29(34)46)62-43(57)45(8,9)10/h20-26H,11-15,17-19H2,1-10H3,(H,52,54)
InChIKey
RKVIHIDUTMZQEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-TET phosphoramidite
CAS: 877049-90-6
CID: 117064749
Formula: C46H54Cl4N3O10P
MW: 981.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight981.7
XLogP311
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count21
Exact Mass981.227143
Monoisotopic Mass979.230093
Topological Polar Surface Area163 Ų
Heavy Atom Count64
Formal Charge0
Complexity1620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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