S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-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-(4-azido-2-nitrophenoxy)dodecanethioate

Modify Date: 2025-09-23 16:02:52

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-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-(4-azido-2-nitrophenoxy)dodecanethioate Structure
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-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-(4-azido-2-nitrophenoxy)dodecanethioate structure
Common Name S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-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-(4-azido-2-nitrophenoxy)dodecanethioate
CAS Number 130766-07-3 Molecular Weight 1127.94000
Density N/A Boiling Point N/A
Molecular Formula C39H60N11O20P3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-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-(4-azido-2-nitrophenoxy)dodecanethioate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C39H60N11O20P3S
Molecular Weight 1127.94000
Exact Mass 1127.29000
PSA 530.14000
LogP 6.73246
InChIKey YTTUVWRNKSNZFE-LFZQUHGESA-N
SMILES CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCOc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-]

 Synonyms

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