Adenosine 5a(2)-(pentahydrogen tetraphosphate), Pa(2)a(2)a(2)-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl] ester
Basic information
- CAS
116355-50-1- Standard SMILES
Cc1ncc(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(CO)c1O- InChIKey
ZRLFKCUMFKCBOW-XKLVTHTNSA-N- Molecular formula
- C18H26N6O18P4
- Average molar mass
- 738.3 g/mol
- Monoisotopic mass
- 738.02540599
Names & identifiers
- Preferred name
- Adenosine 5a(2)-(pentahydrogen tetraphosphate), Pa(2)a(2)a(2)-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl] ester
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methoxy]phosphoryl]oxyphosphoryl] hydrogen phosphate
Names & synonyms
DTXSID401106794116355-50-1Adenosine 5a(2)-(pentahydrogen tetraphosphate), Pa(2)a(2)a(2)-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl] ester
Database identifiers
- CAS
116355-50-1- PubChem CID
- 165367258
- DTXSID
DTXSID401106794
Properties
Computed structural properties
- XLogP
- -6.1
- Topological polar surface area
- 368 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,260
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…