3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dihydroxy-6-methyl-5,7-dihydroimidazo[1,2-a]purin-9-one
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Basic information
- Standard SMILES
CC1(O)Nc2nc3c(ncn3C3OC(CO)C(O)C3O)c(=O)n2C1O- InChIKey
HTWIJVQWHZWTDC-UHFFFAOYSA-N- Molecular formula
- C13H17N5O7
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.1127979
Names & identifiers
- Preferred name
- 3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dihydroxy-6-methyl-5,7-dihydroimidazo[1,2-a]purin-9-one
- IUPAC
- 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dihydroxy-6-methyl-5,7-dihydroimidazo[1,2-a]purin-9-one
Names & synonyms
NSC309109SCHEMBL22589733NSC-309109
Database identifiers
- PubChem CID
- 328822
Properties
Computed structural propertiesFilling in
- XLogP
- -3.2
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 620
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Compound notes
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