Basic information
- Standard SMILES
Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1- InChIKey
DAEAPNUQQAICNR-UHFFFAOYSA-N- Molecular formula
- C10H15N5O9P2
- Average molar mass
- 411.2 g/mol
- Monoisotopic mass
- 411.03450107
Overview
[5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate has been reported in Homo sapiens and Escherichia coli with data available.
Names & identifiers
- Preferred name
- (5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl)methyl phosphono hydrogen phosphate
- IUPAC
- [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Names & synonyms
[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate(5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl)methyl phosphono hydrogen phosphateRefChem:1050556[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid9-{2-deoxy-5-o-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9h-purin-6-amineSCHEMBL31211719DTXSID90863025PD165868NS00014811Q2739886
Database identifiers
- PubChem CID
- 620
- DTXSID
DTXSID90863025
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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