Triphosphoric acid, P-((5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-
Basic information
- CAS
117560-92-6- Standard SMILES
Nc1ncnc2c1ccn2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1- InChIKey
OJEBBDUVAVGFLX-IONNQARKSA-N- Molecular formula
- C11H17N4O11P3
- Average molar mass
- 474.19 g/mol
- Monoisotopic mass
- 474.01066836
Names & identifiers
- Preferred name
- Triphosphoric acid, P-((5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-
- IUPAC
- [[(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Names & synonyms
7-Deaza-ddATP117560-92-67-Deaza-2',3'-dideoxy-5'-triphosphateadenosineTriphosphoric acid, P-((5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-Triphosphoric acid, P-[[5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-2-furanyl]methyl] ester, (2S-cis)-DTXSID20151821[[(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphateTriphosphoricacid,P[[(2S,5R)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-2-furanyl]methyl]ester
Database identifiers
- CAS
117560-92-6- PubChem CID
- 453365
- DTXSID
DTXSID20151821
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 737
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Compound notes
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