Basic information
- CAS
35085-17-7- Standard SMILES
CC(=O)Nc1nc(Cl)c2ncn(C3OC(COCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)c2n1- InChIKey
UIMYQZYIFCUIHC-UHFFFAOYSA-N- Molecular formula
- C33H32ClN5O5
- Average molar mass
- 614.1 g/mol
- Monoisotopic mass
- 613.2091968
Names & identifiers
- Preferred name
- n-Acetyl-6-chloro-9-(2,3,5-tri-o-benzylpentofuranosyl)-9h-purin-2-amine
- IUPAC
- N-[9-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-6-chloropurin-2-yl]acetamide
Names & synonyms
35085-17-7n-acetyl-6-chloro-9-(2,3,5-tri-o-benzylpentofuranosyl)-9h-purin-2-amineNSC156596DTXSID30303096NSC-156596
Database identifiers
- CAS
35085-17-7- PubChem CID
- 291392
- DTXSID
DTXSID30303096
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 887
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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