Basic information
- CAS
142102-79-2- Standard SMILES
Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O- InChIKey
KZKYYGSZDVZKNJ-XDSPWSPCSA-N- Molecular formula
- C25H45N3O8SSi2
- Average molar mass
- 603.9 g/mol
- Monoisotopic mass
- 603.24658964
Overview
structure given in first source; specific against HIV-1 replication
Names & identifiers
- Preferred name
- TSAO-m3T
- IUPAC
- 1-[(5R,6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Names & synonyms
TSAO-m3T142102-79-2Tsao-m(3)T1-(2',5'-Bis-O-(tert-butyldimethylsilylribofuranosyl)-3-N-methylthymine)-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)RefChem:933602CHEMBL211582SCHEMBL31654056DTXSID10931351BDBM501922891-((5R,6R,8R,9R)-4-Amino-9-((tert-butyldimethylsilyl)oxy)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione1-[(5R,6R,8R,9R)-4-amino-9-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-2,2-dioxo-1,7-dioxa-2lambda*6*-thia-spiro[4.4]non-3-en-8-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione1-[(5R,6R,8R,9R)-4-Amino-9-{[tert-butyldi(methyl)silyl]oxy}-6-({[tert-butyldi(methyl)silyl]oxy}methyl)-2,2-dioxo-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4(1H,3H)-dione
Show more names
1-[4-Amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxo-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-((5R,6R,8R,9R)-4-amino-9-(((1,1-dimethylethyl)dimetylsilyl)oxy)-6-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)-1,7-dioxa-2-thiaspiro(4.4)non-3-en-8-yl)-3,5-dimethyl-2,4(1H,3H)-Pyrimidinedione, 1-(4-amino-9-(((1,1-dimethylethyl)dimetylsilyl)oxy)-6-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)-1,7-dioxa-2-thiaspiro(4.4)non-3-en-8-yl)-3,5-dimethyl-, S,S-dioxide, (5R-(5alpha,6beta,8beta,9alpha))-
Properties
Computed structural properties
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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