Basic information
- Standard SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N=CN(C)C)nc(Br)nc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
ZMNUKVAZZIOWIN-ZGIBFIJWSA-N- Molecular formula
- C34H35BrN6O5
- Average molar mass
- 687.6 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-9-[2-deoxy-5-O-(4,4'-dimethoxytrityl)-beta-D-erythro-pentofuranosyl]-6-{[(dimethylamino)methylidene]amino}-9H-purine
- IUPAC
- N'-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-bromopurin-6-yl]-N,N-dimethylmethanimidamide
Names & synonyms
SCHEMBL7656887ZMNUKVAZZIOWIN-ZGIBFIJWSA-N2-Bromo-9-[2-deoxy-5-O-(4,4'-dimethoxytrityl)-beta-D-erythro-pentofuranosyl]-6-{[(dimethylamino)methylidene]amino}-9H-purine
Database identifiers
- PubChem CID
- 86758752
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 950
Related reactions
1 records
Compound notes
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