9-(2,5-Bis-O-(t-butyldimethylsilyl)-3-C-cyano-3-deoxy-beta-D-xylopentofuranosyl)adenine
Basic information
- CAS
121055-66-1- Standard SMILES
CC(C)(C)C(C)(C)C[C@@H]1[C@@H](C#N)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1n1cnc2c(N)ncnc21- InChIKey
YPAADXGCDANNNP-OZQHCQBDSA-N- Molecular formula
- C25H42N6O2Si
- Average molar mass
- 486.7 g/mol
- Monoisotopic mass
- 486.31385114
Names & identifiers
- Preferred name
- 9-(2,5-Bis-O-(t-butyldimethylsilyl)-3-C-cyano-3-deoxy-beta-D-xylopentofuranosyl)adenine
- IUPAC
- (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,2,3,3-tetramethylbutyl)oxolane-3-carbonitrile
- English name
- Aids001181
- Molecular formula
- C25H42N6O2Si
- Molecular weight
- 486.72548
Names & synonyms
121055-66-19-(2,5-Bis-O-(t-butyldimethylsilyl)-3-C-cyano-3-deoxy-beta-D-xylopentofuranosyl)adenineDTXSID509236549-[2,5-Bis-O-(t-butyldimethylsilyl)-3-C-cyano-3-deoxy-.beta.-D-xylopentofuranosyl]adenine(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,2,3,3-tetramethylbutyl)tetrahydrofuran-3-carbonitrile9-{5-O-[tert-Butyl(dimethyl)silyl]-3-cyano-2,3-dideoxy-2-(2,2,3,3-tetramethylbutyl)pentofuranosyl}-9H-purin-6-amine9-{5-O-[tert-Butyldi(methyl)silyl]-3-cyano-2,3-dideoxy-2-(2,2,3,3-tetramethylbutyl)-beta-D-xylofuranosyl}-9H-purin-6-amineAids001181Aids-0011812,4(1H,3H)-Pyrimidinedione, 1-[3-cyano-3-deoxy-2,5-bis-o-[(1,1-dimethylethyl)dimethylsilyl]-.beta.-D-xylofuranosyl]-
Database identifiers
- CAS
121055-66-1- PubChem CID
- 452045
- DTXSID
DTXSID50923654
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 768
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…