Basic information
- CAS
141684-49-3- Standard SMILES
Cc1cn([C@H]2CC3(OS(=O)(=O)C=C3N)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O- InChIKey
CRPDUJBVAQMMLM-LPOUJYBBSA-N- Molecular formula
- C18H29N3O7SSi
- Average molar mass
- 459.6 g/mol
- Monoisotopic mass
- 459.14954798
Names & identifiers
- Preferred name
- (1-(5'-O-(tert-Butyldimethylsilyl)-2'-deoxy-beta-D-erythropentofuranosyl)thymine)-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)
- IUPAC
- 1-[(6R,8R)-4-amino-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
141684-49-3(1-(5'-O-(tert-Butyldimethylsilyl)-2'-deoxy-beta-D-erythropentofuranosyl)thymine)-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)5'-Silyl-2'dT TSAO deriv.DTXSID00931168(6R,8R)-4-Amino-6-({[tert-butyldi(methyl)silyl]oxy}methyl)-8-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-ene-2,2-dione[1-[5'-O-(tert-Butyldimethylsilyl)-2'-deoxy-.beta.-D-erythropentofuranosyl]thymine]-3'-spiro-5-[4-amino-1,2-oxathiole-2,2-dioxide]1-[(2R,4R)-6-amino-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-3,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-2-yl]-5-methyl-pyrimidine-2,4-dione4-Amino-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-8-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-ene-2,2-dione
Database identifiers
- CAS
141684-49-3- PubChem CID
- 454465
- DTXSID
DTXSID00931168
Properties
Computed structural properties
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 932
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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