[(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate

Modify Date: 2025-09-10 12:37:12

[(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate Structure
[(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate structure
 Common Name [(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CAS Number 101011-06-7 Molecular Weight 656.74800
Density N/A Boiling Point N/A
Molecular Formula C31H53N4O9P Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name [(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C31H53N4O9P
Molecular Weight 656.74800
Exact Mass 656.35500
PSA 172.62000
LogP 3.91940
InChIKey XOELTOAOMKZBFT-DSCYDMRWSA-N
SMILES CCCCCCCCCC[N+]12CC[N+](CCCCC(=O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])[O-])(CC1)CC2

 Synonyms

5'-Thymidylic acid,3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate),dihydroxide,bis(inner salt)
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Chemsrc provides CAS#:101011-06-7 MSDS, density, melting point, boiling point, structure, etc. Its name is [(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate>> amp version: [(2R,3S,5S)-3-[5-(1-decyl-1,4-diazoniabicyclo[2.2.2]octan-4-yl)pentanoyloxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate

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