Adenosine 5a(2)-(trihydrogen diphosphate), Pa(2)a5a(2)-ester with 3-(3-azidobenzoyl)-1-I(2)-D-ribofuranosylpyridinium, inner salt
Basic information
- CAS
177911-91-0- Standard SMILES
[N-]=[N+]=Nc1cccc(C(=O)c2ccc[n+]([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2)c1- InChIKey
JVBSTRRRBWIBRJ-XXQHZGKUSA-N- Molecular formula
- C27H29N9O14P2
- Average molar mass
- 765.5 g/mol
- Monoisotopic mass
- 765.13092063
Names & identifiers
- Preferred name
- Adenosine 5a(2)-(trihydrogen diphosphate), Pa(2)a5a(2)-ester with 3-(3-azidobenzoyl)-1-I(2)-D-ribofuranosylpyridinium, inner salt
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[3-(3-azidobenzoyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Names & synonyms
DTXSID401106120177911-91-0Adenosine 5a(2)-(trihydrogen diphosphate), Pa(2)a5a(2)-ester with 3-(3-azidobenzoyl)-1-I(2)-D-ribofuranosylpyridinium, inner salt
Database identifiers
- CAS
177911-91-0- PubChem CID
- 165367176
- DTXSID
DTXSID401106120
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 309 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 13
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…