Basic information
- CAS
133488-30-9- Standard SMILES
CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1N1C(=O)c2ccccc2C1=O- InChIKey
HSIIKZKPMSXPQB-ISARSNTHSA-N- Molecular formula
- C22H21N3O9
- Average molar mass
- 471.4 g/mol
- Monoisotopic mass
- 471.12777926
Names & identifiers
- Preferred name
- beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil
- IUPAC
- [(2R)-2-acetyloxy-2-[(2S,3S,5R)-3-(1,3-dioxoisoindol-2-yl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
Names & synonyms
133488-30-9beta-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-beta-D-ribo-hexofuranosyl)-.beta.-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)uracil[(2R)-2-acetoxy-2-[(2S,3S,5R)-3-(1,3-dioxoisoindolin-2-yl)-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl] acetate4(1H,3H)-Pyrimidinedione, 1-[5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-.beta.-D-ribo-hexofuranosyl]-
Database identifiers
- CAS
133488-30-9- PubChem CID
- 452883
- Nikkaji
- J385.258J
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 924
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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