9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine
Basic information
- CAS
13089-46-8- Standard SMILES
CC(=O)OCC1OC(n2c(Br)nc3c(N)ncnc32)C2OC(C)(C)OC12- InChIKey
SPIGLDZVEURWTD-UHFFFAOYSA-N- Molecular formula
- C15H18BrN5O5
- Average molar mass
- 428.24 g/mol
- Monoisotopic mass
- 427.04913
Names & identifiers
- Preferred name
- 9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amine
- IUPAC
- [4-(6-amino-8-bromopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
Names & synonyms
13089-46-8NSC1095139-[5-o-acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-8-bromo-9h-purin-6-amineDTXSID70926960NSC-109513
Database identifiers
- CAS
13089-46-8- PubChem CID
- 268995
- DTXSID
DTXSID70926960
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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