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Basic information
- Standard SMILES
Nc1ccn(C2OC(COP(=O)(O)OCC(O)C(O)C(O)C(O)CC(=O)C(=O)O)C(O)C2O)c(=O)n1- InChIKey
KSWWYTQOPBWHCP-UHFFFAOYSA-N- Molecular formula
- C17H26N3O15P
- Average molar mass
- 543.4 g/mol
- Monoisotopic mass
- 543.11015413
Names & identifiers
- Preferred name
- 8-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5,6,7-tetrahydroxy-2-oxooctanoic acid
- IUPAC
- 8-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5,6,7-tetrahydroxy-2-oxooctanoic acid
Database identifiers
- PubChem CID
- 315
Properties
Computed structural propertiesFilling in
- XLogP
- -6
- Topological polar surface area
- 299 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 944
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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