Basic information
- Standard SMILES
NC1=NC2C(C(=O)N1)N(O)C(O)(C(O)C(O)CO)C(O)N2O- InChIKey
SQDFRPSZAQYREW-UHFFFAOYSA-N- Molecular formula
- C9H17N5O8
- Average molar mass
- 323.26 g/mol
- Monoisotopic mass
- 323.10771252
Names & identifiers
- Preferred name
- 2-Amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,4a,7,8a-tetrahydropteridin-4-one
- IUPAC
- 2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,4a,7,8a-tetrahydropteridin-4-one
Database identifiers
- PubChem CID
- 24
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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