Basic information
- CAS
72149-25-8- Standard SMILES
C#CC(OC(C)=O)C1OC(n2cnc3c(Cl)nc(Cl)nc32)C(OC(C)=O)C1OC(C)=O- InChIKey
ZWARDOZVLUWMRZ-UHFFFAOYSA-N- Molecular formula
- C18H16Cl2N4O7
- Average molar mass
- 471.2 g/mol
- Monoisotopic mass
- 470.0396043
Names & identifiers
- Preferred name
- 2,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine
- IUPAC
- [4-acetyloxy-2-(1-acetyloxyprop-2-ynyl)-5-(2,6-dichloropurin-9-yl)oxolan-3-yl] acetate
Names & synonyms
72149-25-8NSC331784DTXSID80992873NSC331785NSC-331784NSC-3317852,6-Dichloro-9-(2,3,5-tri-O-acetyl-6,7-dideoxyhept-6-ynofuranosyl)-9H-purine72149-27-0
Database identifiers
- CAS
72149-25-8、72149-27-0- PubChem CID
- 332736
- DTXSID
DTXSID80992873
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 777
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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