Home > Product Catalog > Product category > Nucleotide > 5-[16-[4'-[[[4-(Aminomethyl)benzoyl]amino]methyl]-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl]-11-hydroxy-11-oxido-8,16-dioxo-4,10,12-trioxa-7,15-diaza-11-phospha-1-hexadecyn-1-yl]-2',3'-dideoxycytidine 5'-(tetrahydrogen triphosphate)

5-[16-[4'-[[[4-(Aminomethyl)benzoyl]amino]methyl]-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl]-11-hydroxy-11-oxido-8,16-dioxo-4,10,12-trioxa-7,15-diaza-11-phospha-1-hexadecyn-1-yl]-2',3'-dideoxycytidine 5'-(tetrahydrogen triphosphate)

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Catalog No. : NC327946

CAS No. : 1421942-99-5

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Brand : NewCan Bio

Molecular Formula : C₄₈H₅₁N₇O₂₅P₄

Chemical Name : 5-[16-[4'-[[[4-(Aminomethyl)benzoyl]amino]methyl]-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl]-11-hydroxy-11-oxido-8,16-dioxo-4,10,12-trioxa-7,15-diaza-11-phospha-1-hexadecyn-1-yl]-2',3'-dideoxycytidine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 1,249.85

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Basic information

Standard English name
Cas No.	1421942-99-5
Alias	(((2S,5R)-5-(4-amino-5-(3-(2-(2-(((2-(4'-((4-(aminomethyl)benzamido)methyl)-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxamido)ethoxy)(hydroxy)phosphoryl)oxy)acetamido)ethoxy)prop-1-yn-1-yl)-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	NC1=NC(=O)N(C=C1C#CCOCCNC(=O)COP(O)(=O)OCCNC(=O)C1=CC2=C(C=C1)C(=O)OC12C2C=CC(O)=CC=2OC2=C1C=CC(O)=C2CNC(=O)C1C=CC(CN)=CC=1)[C@H]1CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
MDL No.
Exact Mass	1,249.18851
Smiles	O=C(N=C(C(C#CCOCCNC(COP(OCCNC(C1=CC(C2(C3=C(OC4=C2C=CC(O)=C4)C(CNC(C5=CC=C(CN)C=C5)=O)=C(O)C=C3)O6)=C(C=C1)C6=O)=O)(O)=O)=O)=C7)N)N7[C@H](O8)CC[C@H]8COP(O)(OP(OP(O)(O)=O)(O)=O)=O

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Inchi	InChI=1S/C48H51N7O25P4/c49-22-27-3-5-28(6-4-27)44(59)53-23-34-38(57)13-12-36-42(34)77-39-21-31(56)8-11-35(39)48(36)37-20-29(7-10-33(37)46(61)78-48)45(60)52-16-19-73-82(66,67)75-26-40(58)51-15-18-72-17-1-2-30-24-55(47(62)54-43(30)50)41-14-9-32(76-41)25-74-83(68,69)80-84(70,71)79-81(63,64)65/h3-8,10-13,20-21,24,32,41,56-57H,9,14-19,22-23,25-26,49H2,(H,51,58)(H,52,60)(H,53,59)(H,66,67)(H,68,69)(H,70,71)(H2,50,54,62)(H2,63,64,65)/t32-,41+,48?/m0/s1
InchiKey	SNEFZAUVWAYFDL-DMMYJLRHSA-N
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History

NC420334

9-(2-Deoxy-4-C-ethynyl-2-fluoro-β-D-arabinofuranosyl)-6-fluoro-9H-purine