Basic information
- CAS
130029-10-6- Standard SMILES
Nc1nc(N)c2ncn(CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2n1- InChIKey
AQPROKLUUOKVSA-UHFFFAOYSA-N- Molecular formula
- C8H15N6O10P3
- Average molar mass
- 448.16 g/mol
- Monoisotopic mass
- 448.00625169
Names & identifiers
- Preferred name
- 9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine
- IUPAC
- 2-(2,6-diaminopurin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Names & synonyms
PMEDAP-TP9-MeOEt-2-Amino A-TP9-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine130029-10-69-(2-Diphosphorylphosphonylmethoxyethyl)-2-aminoadenine 2-AminoPMEAppDiphosphoric acid, monoanhydride with ((2-(2,6-diamino-9H-purin-9-yl)ethoxy)methyl)phosphonic acidDiphosphoric acid, monoanhydride with [[2-(2,6-diamino-9H-purin-9-yl)ethoxy]methyl]phosphonic acidDTXSID701563012-(2,6-diaminopurin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
Database identifiers
- CAS
130029-10-6- PubChem CID
- 452201
- DTXSID
DTXSID70156301- Nikkaji
- J755.613F
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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