Home > Product Catalog > Product category > Nucleotide > (3aS,4S,6aR)-N-[6-[[3-[2-Amino-4,7-dihydro-7-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]amino]-6-oxohexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

(3aS,4S,6aR)-N-[6-[[3-[2-Amino-4,7-dihydro-7-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]amino]-6-oxohexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

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Catalog No. : NC426761

CAS No. : 1001416-93-8

Product Level :

Brand : NewCan Bio

Molecular Formula : C₃₀H₄₅N₈O₁₇P₃S

Chemical Name : (3aS,4S,6aR)-N-[6-[[3-[2-Amino-4,7-dihydro-7-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]amino]-6-oxohexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

Molecular Weight : 914.71

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Basic information

Standard English name
Cas No.	1001416-93-8
Alias	(3aS,4S,6aR)-N-[6-[[3-[2-Amino-4,7-dihydro-7-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propyn-1-yl]amino]-6-oxohexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide
Canonical Smiles	NC1NC(=O)C2C(=CN([C@@H]3O[C@H](COP(=O)OP(O)(=O)OP(O)(=O)OO)[C@@H](O)[C@H]3O)C=2N=1)C#CCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
MDL No.
Exact Mass	914.18362
Smiles	O=C(NCCCCCC(NCC#CC1=CN([C@H]2[C@@H]([C@@H]([C@@H](COP(OP(OP(OO)(O)=O)(O)=O)=O)O2)O)O)C(N=C(N)N3)=C1C3=O)=O)CCCC[C@@H]4SC[C@]([C@]4([H])N5)([H])NC5=O

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Feature
Useage
Inchi	InChI=1S/C30H45N8O17P3S/c31-29-36-26-22(27(43)37-29)16(13-38(26)28-25(42)24(41)18(52-28)14-51-56(46)54-58(49,50)55-57(47,48)53-45)7-6-12-33-20(39)9-2-1-5-11-32-21(40)10-4-3-8-19-23-17(15-59-19)34-30(44)35-23/h13,17-19,23-25,28,41-42,45,56H,1-5,8-12,14-15H2,(H,32,40)(H,33,39)(H,47,48)(H,49,50)(H2,34,35,44)(H3,31,36,37,43)/t17-,18+,19-,23-,24+,25+,28+/m0/s1
InchiKey	WPGAVSZSYNYRDE-JQUVETAHSA-N
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