3'-Deoxy 3'-Amino Adenosine-5'-Diphosphate
Basic information
- CAS
4360-06-9- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](N)[C@H]1O- InChIKey
VKODIDNZKBYXJO-QYYRPYCUSA-N- Molecular formula
- C10H16N6O9P2
- Average molar mass
- 426.22 g/mol
- Monoisotopic mass
- 426.0454001
Names & identifiers
- Preferred name
- 3'-Deoxy 3'-Amino Adenosine-5'-Diphosphate
- IUPAC
- [(2S,3S,4R,5R)-3-amino-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Names & synonyms
3'-DEOXY 3'-AMINO ADENOSINE-5'-DIPHOSPHATE[({[(2S,3S,4R,5R)-3-amino-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid(((((2S,3S,4R,5R)-3-amino-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)phosphonic acidRefChem:4846763AN3'-amino-3'-deoxyadenosine 5'-(trihydrogen diphosphate)1hiy4360-06-9SCHEMBL4309008SCHEMBL29941860DTXSID80332210DB04366
Show more names
PD059305NS00071927
Database identifiers
- CAS
4360-06-9- PubChem CID
- 446090
- DTXSID
DTXSID80332210- Nikkaji
- J1.615.471G
Properties
Computed structural properties
- XLogP
- -7.2
- Topological polar surface area
- 238 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 638
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…