Chemical Compound

C31H44N7O20P3S

CAS Registry Number 59862-14-5
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C31H44N7O20P3S chemical structure
Primary Record

C31H44N7O20P3S

In stock
2,463 g
Purity
99.5 %
CAS
59862-14-5

Compound Identifiers & Properties

CAS
59862-14-5
PubChem CID
166600394
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)O)O
Canonical SMILES
COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2OP(=O)(O)O)cc(O)c1O

Names & Synonyms

  • C31H44N7O20P3S
  • 59862-14-5
  • [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enoylsulfanyl]ethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphospho
  • N/A
  • S-[2-[3-[[4-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxy-5-methoxy-phenyl)prop-2-enethioate