4-Phthalimido-7-[3,5-di-o-(p-toluoyl)-2-c-methyl-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidine
Basic information
- Standard SMILES
Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc4c(N5C(=O)c6ccccc6C5=O)ncnc43)[C@](C)(O)[C@@H]2OC(=O)c2ccc(C)cc2)cc1- InChIKey
XZRPMRVALHSFKJ-DXOQEOHKSA-N- Molecular formula
- C36H30N4O8
- Average molar mass
- 646.6 g/mol
Names & identifiers
- Preferred name
- 4-Phthalimido-7-[3,5-di-o-(p-toluoyl)-2-c-methyl-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidine
- IUPAC
- [(2R,3R,4R,5R)-5-[4-(1,3-dioxoisoindol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-hydroxy-4-methyl-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
Names & synonyms
SCHEMBL5102890XZRPMRVALHSFKJ-DXOQEOHKSA-N4-phthalimido-7-[3,5-di-o-(p-toluoyl)-2-c-methyl-beta-d-ribofuranosyl]-7h-pyrrolo[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 11239166
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
2 records
Compound notes
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