Products 93255-33-5

CAS 93255-33-5 is the registry number for PDCoA. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 12-pyren-1-yldodecanethioate (CAS 93255-33-5) is a chemical compound with the molecular formula C49H66N7O17P3S and a molecular weight of 1150.1 g/mol. IUPAC name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 12-pyren-1-yldodecanethioate. InChIKey: BPNVONKYJJXBQT-UHFFFAOYSA-N.

Identity
Molecular formulaC49H66N7O17P3S
Molecular weight1150.1 g/mol
IUPAC nameS-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 12-pyren-1-yldodecanethioate
InChIKeyBPNVONKYJJXBQT-UHFFFAOYSA-N
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)O

Computed by PubChem (NCBI)