Basic information
- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3cnc(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
PGCQQKXEYFYICY-XIDUGBJDSA-N- Molecular formula
- C16H18N4O8S
- Average molar mass
- 426.4 g/mol
Names & identifiers
- Preferred name
- 5-Amino-3-(2',3,5'-tri-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo[4,5-d]pyrimidin-2-one
- IUPAC
- [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
Names & synonyms
SCHEMBL510823PGCQQKXEYFYICY-XIDUGBJDSA-N5-Amino-3-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo[4,5-d]pyrimidin-2-one5-Amino-3-(2',3,5'-tri-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo[4,5-d]pyrimidin-2-one5-Amino-3-(2,3,5'-tri-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo[4,5-d]pyrimidin-2-one5-Amino-3-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo [4,5-d]pyrimidin-2-one
Database identifiers
- PubChem CID
- 11633267
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 694
Related reactions
26 records
Compound notes
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