For research use only. Not for therapeutic Use.
| Catalog Number | M096654 |
| CAS Number | 146340-15-0 |
| Molecular Formula | C49H63N20O32P5 |
| Purity | ≥95% |
| Storage | -20°C |
| IUPAC Name | [(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate |
| InChI | InChI=1S/C49H63N20O32P5/c1-18-9-66(49(76)64-41(18)71)32-6-21(27(95-32)13-91-106(86,87)100-22-7-33(96-25(22)11-88-102(77,78)79)68-16-55-36-39(68)59-46(52)62-43(36)73)99-105(84,85)90-12-26-20(5-31(94-26)65-3-2-29(50)57-48(65)75)98-104(82,83)92-14-28-23(8-34(97-28)69-17-56-37-40(69)60-47(53)63-44(37)74)101-103(80,81)89-10-24-19(70)4-30(93-24)67-15-54-35-38(67)58-45(51)61-42(35)72/h2-3,9,15-17,19-28,30-34,70H,4-8,10-14H2,1H3,(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H2,50,57,75)(H,64,71,76)(H2,77,78,79)(H3,51,58,61,72)(H3,52,59,62,73)(H3,53,60,63,74)/t19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,30+,31+,32+,33+,34+/m0/s1 |
| InChIKey | PIOSCCNVYGDWCA-BFVNWSFKSA-N |
| SMILES | CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=NC5=C4NC(=NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=CC(=NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=NC1=C9NC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1NC(=NC2=O)N)O |
