Basic information
- CAS
7690-94-0- Standard SMILES
Nc1ncnc2c1ncn2C1OC2COC(c3ccccc3)OC2C1O- InChIKey
KGYZPVRKHJBPCG-UHFFFAOYSA-N- Molecular formula
- C17H17N5O4
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.12805404
Names & identifiers
- Preferred name
- 9-(3,5-o-Benzylidenepentofuranosyl)-9h-purin-6-amine
- IUPAC
- 6-(6-aminopurin-9-yl)-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
Names & synonyms
7690-94-0NSC1011549-(3,5-o-benzylidenepentofuranosyl)-9h-purin-6-amineDTXSID20998192NSC-101154
Database identifiers
- CAS
7690-94-0- PubChem CID
- 265288
- DTXSID
DTXSID20998192
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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