Home > Product Catalog > Product category > Nucleotide > 3'-O-(2-Cyanoethyl)-5-[7-(cyanomethyl)-19-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl)-5,19-dioxo-6,9,12,15-tetraoxa-4,18-diazanonadec-1-yn-1-yl]-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

3'-O-(2-Cyanoethyl)-5-[7-(cyanomethyl)-19-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl)-5,19-dioxo-6,9,12,15-tetraoxa-4,18-diazanonadec-1-yn-1-yl]-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

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Catalog No. : NC359953

CAS No. : 1288999-26-7

Product Level :

Brand : NewCan Bio

Molecular Formula : C₄₇H₄₉N₆O₂₅P₃

Chemical Name : 3'-O-(2-Cyanoethyl)-5-[7-(cyanomethyl)-19-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl)-5,19-dioxo-6,9,12,15-tetraoxa-4,18-diazanonadec-1-yn-1-yl]-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 1,190.84

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Basic information

Standard English name
Cas No.	1288999-26-7
Alias	(((2R,3S,5R)-3-(2-cyanoethoxy)-5-(5-(13-(cyanomethyl)-1-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-6-yl)-1,15-dioxo-5,8,11,14-tetraoxa-2,16-diazanonadec-18-yn-19-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	N#CCC(COCCOCCOCCNC(=O)C1C=CC2=C(C=1)C1(OC2=O)C2C=CC(O)=CC=2OC2C=C(O)C=CC1=2)OC(=O)NCC#CC1=CN([C@H]2C[C@H](OCCC#N)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O
MDL No.
Exact Mass	1,190.19603
Smiles	O=C(NC(C(C#CCNC(OC(CC#N)COCCOCCOCCNC(C1=CC(C2(C3=C(OC4=C2C=CC(O)=C4)C=C(O)C=C3)O5)=C(C=C1)C5=O)=O)=O)=C6)=O)N6[C@H](O7)C[C@H](OCCC#N)[C@H]7COP(O)(OP(OP(O)(O)=O)(O)=O)=O

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Inchi	InChI=1S/C47H49N6O25P3/c48-11-2-15-71-39-24-41(75-40(39)27-72-80(64,65)78-81(66,67)77-79(61,62)63)53-25-29(43(57)52-45(53)59)3-1-13-51-46(60)73-32(10-12-49)26-70-20-19-69-18-17-68-16-14-50-42(56)28-4-7-33-36(21-28)47(76-44(33)58)34-8-5-30(54)22-37(34)74-38-23-31(55)6-9-35(38)47/h4-9,21-23,25,32,39-41,54-55H,2,10,13-20,24,26-27H2,(H,50,56)(H,51,60)(H,64,65)(H,66,67)(H,52,57,59)(H2,61,62,63)/t32?,39-,40+,41+/m0/s1
InchiKey	PNDBIMQQBKJWIW-XIRLZXEOSA-N
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History

NC422470

N-Bicyclo[2.2.1]hept-2-yl-2',3'-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-5'-S-(2-fluorophenyl)-5'-thioadenosine