trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-oxidooxolan-2-yl]methyl [hydroxy(oxido)phosphinothioyl] phosphate
Basic information
- CAS
73536-95-5- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP([O-])(O)=S)[C@@H]([O-])[C@H]1O.[Li+].[Li+].[Li+]- InChIKey
SWRNUPGIEJZDIE-MSQVLRTGSA-L- Molecular formula
- C10H12Li3N5O9P2S
- Average molar mass
- 461.1 g/mol
- Monoisotopic mass
- 461.0311074
Names & identifiers
- Preferred name
- trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-oxidooxolan-2-yl]methyl [hydroxy(oxido)phosphinothioyl] phosphate
- IUPAC
- trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-oxidooxolan-2-yl]methyl [hydroxy(oxido)phosphinothioyl] phosphate
- English name
- Adenosine 5'-O-(2-thiodiphosphate) trilithium salt
- Molecular formula
- C10H16LiN5O9P2S
- Molecular weight
- 451.21
Names & synonyms
73536-95-5orb3132295T206052ADP-BETA-SAdo-5′-PP[S]ADP-BETA-S, 3LIADP-β-S (trilithium)ADP-BETA-S TRILITHIUM SALTADO-5'-PP[S] TRILITHIUM SALTAdenosine 5′-[β-thio]diphosphateADENOSINE-5-b-THIODIPHOSPHATE LITHIUM SALTADENOSINE 5'-O-(2-THIODIPHOSPHATE)TRILIT HIUM
Show more names
Adenosin-5'-O-(thiodiphosphat), Trilithiumsalz
Database identifiers
- CAS
73536-95-5- PubChem CID
- 178203285
- EC Number
- 277-530-6
Properties
Computed structural properties
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 640
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- 20 mg/mL · water: 20 mg/mL
- form
- White solid
- color
- white
- Water Solubility
- 20 mg/mL · water: 20mg/mL
- InChIKey
- HCIKUKNAJRJFOW-KQYNXXCUSA-N
- UNSPSC Code
- 41106305 · 41106305
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H371
- Precautionary statements
- 301 · P301+P312+P330-P308+P311
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-68/20/21/22
- Safety Statements
- 36 · 36/37
- WGK Germany
- 3 · 3
- F
- 3 · 3-10-21
- Storage Class
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
- F
- 3-10-21
- wgk
- 3
- risk_code
- 20/21/22-68/20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H371
- Precautionary statements
- P301+P312+P330-P308+P311
Chemistry & industry
Applications
UsesAdenosine 5′-[β-thio]diphosphate trilithium salt has been used to induce neuropathic pain in rats to study the effect of dorsal horn cannabinoid CB2 receptor activation on the expression of P2Y12 and P2Y13 (purinoceptors) receptors.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…