4-Chloro-2-(methylsulfanyl)-7-(2,3,5-tri-o-benzoylpentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine
Basic information
- CAS
29914-79-2- Standard SMILES
CSc1nc(Cl)c2ccn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c2n1- InChIKey
DVDMMWBKNWIKCK-UHFFFAOYSA-N- Molecular formula
- C33H26ClN3O7S
- Average molar mass
- 644.1 g/mol
- Monoisotopic mass
- 643.117999
Names & identifiers
- Preferred name
- 4-Chloro-2-(methylsulfanyl)-7-(2,3,5-tri-o-benzoylpentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine
- IUPAC
- [3,4-dibenzoyloxy-5-(4-chloro-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
29914-79-2NSC1381654-chloro-2-(methylsulfanyl)-7-(2,3,5-tri-o-benzoylpentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidineDTXSID50952368NSC-138165
Database identifiers
- CAS
29914-79-2- PubChem CID
- 283440
- DTXSID
DTXSID50952368
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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