1-(2',5'-Bis-O-(tert-butyldimethylsilyl)-3'-C-cyano-3'-O-mesyl-beta-D-ribofuranosyl)thymine

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Basic information

CAS: 141684-44-8
Standard SMILES: Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@](C#N)(OS(C)(=O)=O)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O
InChIKey: NSVJFTGUTFJYAS-DSPLJNTKSA-N
Molecular formula: C24H43N3O8SSi2
Average molar mass: 589.9 g/mol
Monoisotopic mass: 589.23093958

Names & identifiers

Preferred name: 1-(2',5'-Bis-O-(tert-butyldimethylsilyl)-3'-C-cyano-3'-O-mesyl-beta-D-ribofuranosyl)thymine
IUPAC: [(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-cyano-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate

Names & synonyms

141684-44-81-(2',5'-Bis-O-(tert-butyldimethylsilyl)-3'-C-cyano-3'-O-mesyl-beta-D-ribofuranosyl)thymineSCHEMBL9097276CHEMBL3142638DTXSID00161802diSilyl-3'CN-3'MeSylT TSAO deriv.2',5'-Bis-O-[tert-butyldi(methyl)silyl]-3'-C-cyano-3'-O-(methanesulfonyl)-5-methyluridine[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-cyano-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] methanesulfonate1-[2',5'-Bis-O-(tert-butyldimethylsilyl)-3'-C-cyano-3'-O-mesyl-.beta.-D-ribofuranosyl]thymine

Database identifiers

CAS: 141684-44-8
PubChem CID: 454466
DTXSID: DTXSID00161802
ChEMBL: CHEMBL3142638

Properties

Computed structural properties

Topological polar surface area: 153 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 10
Heavy atoms: 38
Formal charge: 0
Complexity: 1,140

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Compound notes

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