Triphosphoric acid, P-((5-(4-amino-1H-indol-1-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-
Basic information
- CAS
132062-43-2- Standard SMILES
Nc1cccc2c1ccn2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1- InChIKey
NETYDCGCPXCMEZ-TVQRCGJNSA-N- Molecular formula
- C13H19N2O11P3
- Average molar mass
- 472.22 g/mol
- Monoisotopic mass
- 472.02017042
Names & identifiers
- Preferred name
- Triphosphoric acid, P-((5-(4-amino-1H-indol-1-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-
- IUPAC
- [[(2S,5R)-5-(4-aminoindol-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Names & synonyms
1,3,7-Trideaza-ddATP132062-43-21,3,7-Trideaza-2',3'-dideoxy-5'-triphosphateadenosineTriphosphoric acid, P-((5-(4-amino-1H-indol-1-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-DTXSID70157333Triphosphoric acid, P-[[5-(4-amino-1H-indol-1-yl)tetrahydro-2-furanyl]methyl] ester, (2S-cis)-RefChem:386561DTXCID7079824[[(2S,5R)-5-(4-aminoindol-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphateTriphosphoric acid, P-[[5-(4-amino-1H-indol-1-yl)tetrahydro-2-furanyl]methyl] ester, (2S-cis)- (9CI)
Database identifiers
- CAS
132062-43-2- PubChem CID
- 453364
- DTXSID
DTXSID70157333
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 733
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Compound notes
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