Basic information
- CAS
29914-80-5- Standard SMILES
CSc1nc(Cl)c2c(Br)cn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c2n1- InChIKey
NIHNVOSKNMQTGF-UHFFFAOYSA-N- Molecular formula
- C33H25BrClN3O7S
- Average molar mass
- 723 g/mol
- Monoisotopic mass
- 721.02851
Names & identifiers
- Preferred name
- 5-Bromo-4-chloro-2-(methylsulfanyl)-7-(2,3,5-tri-o-benzoylpentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine
- IUPAC
- [3,4-dibenzoyloxy-5-(5-bromo-4-chloro-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl benzoate
Names & synonyms
29914-80-5NSC1286675-bromo-4-chloro-2-(methylsulfanyl)-7-(2,3,5-tri-o-benzoylpentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidineDTXSID10952369NSC-128667
Database identifiers
- CAS
29914-80-5- PubChem CID
- 278752
- DTXSID
DTXSID10952369
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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