2',5'-Oligoadenyl-5'-diphosphate
Basic information
- CAS
84824-01-1- Standard SMILES
Nc1ncnc2c1NC(Br)(Br)N2[C@@H]1O[C@H](C(C[C@H]2O[C@@H](n3c(Br)nc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)OP(=O)(O)O)(C[C@H]2OC(n3cnc4c(N)ncnc43)=C(O)[C@@H]2O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
MLVFFFFBBPSDMP-IYSFOZBBSA-N- Molecular formula
- C30H36Br3N15O22P4
- Average molar mass
- 1,322.3 g/mol
- Monoisotopic mass
- 1,318.86599
Names & identifiers
- Preferred name
- 2',5'-Oligoadenyl-5'-diphosphate
- IUPAC
- [(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-2-[2-[(2S,3S,4R,5R)-5-(6-amino-8,8-dibromo-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-3-[(2R,3R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2,3-dihydrofuran-2-yl]-2-[hydroxy(phosphonooxy)phosphoryl]oxypropyl]-4-hydroxyoxolan-3-yl] phosphono hydrogen phosphate
- English name
- 2',5'-oligoadenyl-5'-diphosphate
- Molecular formula
- C30H36Br3N15O22P4
- Molecular weight
- 1322.301184
Names & synonyms
pp5'A2'p5'A2'p5'A2-5A Core 5'-diphosphate84824-01-12',5'-Oligoadenyl-5'-diphosphateRefChem:80153Adenosine 5'-(trihydrogen di-phosphate), 8-bromoadenylyl-(5'-2')-8-bromoadenylyl-(5'-2')-8-bromo-, (2S-(1(R*(R*)),2alpha,3abeta,7abeta))-[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-2-[2-[(2S,3S,4R,5R)-5-(6-amino-8,8-dibromo-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-3-[(2R,3R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2,3-dihydrofuran-2-yl]-2-[hydroxy(phosphonooxy)phosphoryl]oxypropyl]-4-hydroxyoxolan-3-yl] phosphono hydrogen phosphateAdenosine 5'-(trihydrogen diphosphate), 8-bromoadenylyl-(5'-2')-8-bromoadenylyl-(5'-2')-8-bromo-, (2S-(1(R*(R*)),2alpha,3abeta,7abeta))-
Database identifiers
- CAS
84824-01-1- PubChem CID
- 196291
Properties
Computed structural properties
- XLogP
- -6.5
- Topological polar surface area
- 562 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 35
- Rotatable bonds
- 16
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 2,330
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