Adenosine5'-(tetrahydrogen triphosphate), 3'-deoxy-, trisodium salt (9CI)
Basic information
- CAS
71997-32-5- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C[C@H]1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
XAHUGMVDQATLJY-PHWMRHDISA-J- Molecular formula
- C10H12N5Na4O12P3
- Average molar mass
- 579.11 g/mol
- Monoisotopic mass
- 578.92860896
Overview
See also: Cordycepin 5'-triphosphate sodium (annotation moved to); 3'-Deoxyadenosine 5'-(tetrahydrogen triphosphate) (annotation moved to).
Names & identifiers
- Preferred name
- Adenosine5'-(tetrahydrogen triphosphate), 3'-deoxy-, trisodium salt (9CI)
- IUPAC
- tetrasodium;[[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
- English name
- 3'-DEOXYADENOSINE 5'-TRIPHOSPHATE SODIUM SALT
- Molecular formula
- C10H17N5NaO12P3
- Molecular weight
- 515.18
Names & synonyms
71997-32-5Adenosine5'-(tetrahydrogen triphosphate), 3'-deoxy-, trisodium salt (9CI)C10H12N5Na4O12P3DTXSID00703549MFCD000570153'-DEOXYADENOSINE 5'-TRIPHOSPHATE SODIUM SALTCordycepin 5 inverted exclamation marka-triphosphate sodium saltTetrasodium 3'-deoxy-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)adenosineSodium ((2S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-2-yl)methyl triphosphatetetrasodium;[[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphateCordycepin 5′-triphosphateCordycepin-5''-triphosphoric acid
Show more names
3'-deoxyadenosine 5'-triphosphatecordycepin 5'-triphosphate sodiumCORDYCEPIN 5'-TRIPHOSPHATE SODIUM SALT3'-deoxyadenosine-5'-triphosphate sodiumCordycepin 5'-triphosphate sodium salt >=95%Sodium (2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(((hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)oxy)methyl)tetrahydrofuran-3-olate
Properties
Computed structural properties
- Topological polar surface area
- 270 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 741
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- powder
- InChIKey
- FRGBONDYLMUOMH-UHFFFAOYSA-N
- SMILES
- [Na].Nc1ncnc2n(cnc12)C3OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC3O
- UNSPSC Code
- 41106305 · 41106305
- NACRES
- 51 · NA.51
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302+H332-H315-H319-H335-H351
- Precautionary statements
- 202 · P202-P301+P312-P302+P352-P304+P340+P312-P305+P351+P338-P308+P313
- target organs
- Respiratory system
- PPE
- 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/22-36/37/38-40
- Safety Statements
- 22 · 22-26-36-45
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- risk_code
- 20/22-36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 22-26-36-45
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H332-H315-H319-H335-H351
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P202-P301+P312-P302+P352-P304+P340+P312-P305+P351+P338-P308+P313
Chemistry & industry
Applications
UsesCordycepin 5′-triphosphate sodium salt has been used: as a transcriptional inhibitor in RNA decay assay to inhibit polyadenylation in HEK293T cells before harvesting for in- vitro interaction studies through co-immunoprecipitation (co-Ips) as a positive control in in vitro assays for polymerase inhibition as a precursor to produce cordycepin monophosphate
General DescriptionCordycepin (3′-deoxyadenosine) is a cytotoxic adenosine analog and a bioactive agent extracted from Cordyceps militaris. Cordycepin 5′-triphosphate is a toxic derivative of cordycepin.
Additional notes
DefinitionChEBI: Cordycepin triphosphate is a purine ribonucleoside 5'-triphosphate. It has a role as an antimetabolite, an antifungal agent, an antineoplastic agent and an antiviral agent. It is functionally related to a cordycepin.
Related reactions
0 records
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Compound notes
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