1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione
Basic information
- CAS
19029-70-0- Standard SMILES
Nc1nc2c([nH]c(=O)n2C2OC(CO)C(O)C2O)c(=O)n1N- InChIKey
SIXZCFPRAGPNFK-UHFFFAOYSA-N- Molecular formula
- C10H14N6O6
- Average molar mass
- 314.26 g/mol
- Monoisotopic mass
- 314.09748219
Names & identifiers
- Preferred name
- 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione
- IUPAC
- 1,2-diamino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione
Names & synonyms
NSC11252219029-70-0DTXSID40940577NSC-1125221-Amino-8-hydroxy-2-imino-9-pentofuranosyl-1,2,3,9-tetrahydro-6H-purin-6-one1-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-imino-2,3,7,9-tetrahydro-1H-purine-6,8-dione1-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-imino-3,7-dihydropurine-6,8-dione
Database identifiers
- CAS
19029-70-0- PubChem CID
- 270263
- DTXSID
DTXSID40940577
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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