2-[1-(2,6-dioxo-3H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
Basic information
- CAS
88010-99-5- Standard SMILES
O=CC(CO)OC(C=O)n1cnc2c(=O)[nH]c(=O)[nH]c21- InChIKey
DWXFQPIWPNJJET-UHFFFAOYSA-N- Molecular formula
- C10H10N4O6
- Average molar mass
- 282.21 g/mol
- Monoisotopic mass
- 282.06003405
Names & identifiers
- Preferred name
- 2-[1-(2,6-dioxo-3H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
- IUPAC
- 2-[1-(2,6-dioxo-3H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
Names & synonyms
NSC26675188010-99-5SCHEMBL27361011DTXSID40313166NSC-266751DS-0127792-[1-(2,6-Dioxo-3h-purin-9-yl)-2-oxo-ethoxy]-3-hydroxy-propanal2-[1-(2,6-Dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
Database identifiers
- CAS
88010-99-5- PubChem CID
- 320227
- DTXSID
DTXSID40313166
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
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Compound notes
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