disodium;[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate

Base Information

• Chemical Name: disodium;[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
• CAS No.: 74299-50-6
• Molecular Formula: C10H14N5O12P3^.2Na
• Molecular Weight: 535.15
• Hs Code.: 29349990
• European Community (EC) Number: 277-809-2
• Mol file: 74299-50-6.mol

Synonyms:74299-50-6;disodium;[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate;SCHEMBL1513943;CID 18601695;NS00074137

Chemical Property of disodium;[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate

Chemical Property:

• PSA: 293.99000
• LogP: 0.85780
• Storage Temp.: −20°C
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 534.96472046
• Heavy Atom Count: 32
• Complexity: 758

Purity/Quality:

98%,99%, ^*data from raw suppliers

dATP PCR Grade, sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-37/39-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-])O.[Na+].[Na+]
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-])O.[Na+].[Na+]
• Uses: 2′-Deoxyadenosine 5′-triphosphate disodium salt for Smac- X-linked inhibitor of apoptosis protein (Smac-XIAP) binding assayas a component of polymerase chain reaction (PCR) using AM-toxin primersto determine the affinity constant (Kd) with the transcription termination factor Rho 2′-Deoxyadenosine 5′-triphosphate (dATP) is used as a substrate by a variety of polymerases including DNA polymerase(s) and reverse transcriptase(s).