Triphosphoric acid, P-((tetrahydro-5-(4-nitro-1H-pyrrolo(2,3-b)pyridin-1-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-
Basic information
- CAS
132062-50-1- Standard SMILES
O=[N+]([O-])c1ccnc2c1ccn2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1- InChIKey
LQDNQAKAESTPST-GZMMTYOYSA-N- Molecular formula
- C12H16N3O13P3
- Average molar mass
- 503.19 g/mol
- Monoisotopic mass
- 502.98959857
Names & identifiers
- Preferred name
- Triphosphoric acid, P-((tetrahydro-5-(4-nitro-1H-pyrrolo(2,3-b)pyridin-1-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-
- IUPAC
- [hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Names & synonyms
1,7-Dideaza-4-NO2-ddPTP132062-50-1Triphosphoric acid, P-((tetrahydro-5-(4-nitro-1H-pyrrolo(2,3-b)pyridin-1-yl)tetrahydro-2-furanyl)methyl) ester, (2S-cis)-1,7-Dideaza-2',3'-dideoxy-5'-triphosphate-6-nitropurine ribofuranosideDTXSID30157334Triphosphoric acid, P-[[tetrahydro-5-(4-nitro-1H-pyrrolo[2,3-b]pyridin-1-yl)tetrahydro-2-furanyl]methyl] ester, (2S-cis)-RefChem:386563DTXCID2079825[hydroxy-[[(2S,5R)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Database identifiers
- CAS
132062-50-1- PubChem CID
- 453363
- DTXSID
DTXSID30157334
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 817
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Compound notes
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