Home > Product Catalog > Product category > Nucleoside > 5-[13-[4'-[[[4-(Aminomethyl)benzoyl]amino]methyl]-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl]-8-hydroxy-8-oxido-5,13-dioxo-7,9-dioxa-4,12-diaza-8-phospha-1-tridecyn-1-yl]-2',3'-dideoxycytidine 5'-(tetrahydrogen triphosphate)

5-[13-[4'-[[[4-(Aminomethyl)benzoyl]amino]methyl]-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl]-8-hydroxy-8-oxido-5,13-dioxo-7,9-dioxa-4,12-diaza-8-phospha-1-tridecyn-1-yl]-2',3'-dideoxycytidine 5'-(tetrahydrogen triphosphate)

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Catalog No. : NC327950

CAS No. : 1421942-13-3

Product Level :

Brand : NewCan Bio

Molecular Formula : C₄₆H₄₇N₇O₂₄P₄

Chemical Name : 5-[13-[4'-[[[4-(Aminomethyl)benzoyl]amino]methyl]-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl]-8-hydroxy-8-oxido-5,13-dioxo-7,9-dioxa-4,12-diaza-8-phospha-1-tridecyn-1-yl]-2',3'-dideoxycytidine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 1,205.79

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Basic information

Standard English name
Cas No.	1421942-13-3
Alias	(((2S,5R)-5-(4-amino-5-(3-(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)prop-1-yn-1-yl)-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	NC1=NC(=O)N(C=C1C#CCNC(=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	1,205.16229
Smiles	O=C(N=C(C(C#CCNC(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/C46H47N7O24P4/c47-20-25-3-5-26(6-4-25)42(57)51-21-32-36(55)13-12-34-40(32)74-37-19-29(54)8-11-33(37)46(34)35-18-27(7-10-31(35)44(59)75-46)43(58)50-16-17-70-79(64,65)72-24-38(56)49-15-1-2-28-22-53(45(60)52-41(28)48)39-14-9-30(73-39)23-71-80(66,67)77-81(68,69)76-78(61,62)63/h3-8,10-13,18-19,22,30,39,54-55H,9,14-17,20-21,23-24,47H2,(H,49,56)(H,50,58)(H,51,57)(H,64,65)(H,66,67)(H,68,69)(H2,48,52,60)(H2,61,62,63)/t30-,39+,46?/m0/s1
InchiKey	AFECRWQXFCUWSQ-ZYPWBGBCSA-N
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