Basic information
- CAS
60943-92-2- Standard SMILES
COC1(O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(=O)[nH]c(NC(=O)c4ccccc4)nc32)CCOCC1- InChIKey
PXJXCKHHANPNSA-VGKBRBPRSA-N- Molecular formula
- C23H27N5O8
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 501.18596284
Names & identifiers
- Preferred name
- N-Benzoyl-2'-O-(4-methoxyoxan-4-yl)guanosine
- IUPAC
- N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(4-methoxyoxan-4-yl)oxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]benzamide
Names & synonyms
60943-92-2N-(9-((2R,3R,4R,5R)-4-Hydroxy-5-(hydroxymethyl)-3-((4-methoxytetrahydro-2H-pyran-4-yl)oxy)tetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)benzamideN-Benzoyl-2'-O-(4-methoxyoxan-4-yl)guanosineDTXSID20821390
Database identifiers
- CAS
60943-92-2- PubChem CID
- 136266012
- DTXSID
DTXSID20821390
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 846
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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