8-Azidoadenosine 5'-triphosphate supplier

Name
8-AZIDOADENOSINE 5'-TRIPHOSPHATE, SODIUM SALT
EINECS
CAS No. 53696-59-6
Density
Solubility
Melting Point
Formula C₁₀H₁₅N₈O₁₃P₃
Boiling Point
Molecular Weight 548.00
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 8-Azido-ATP;8-Azidoadenosine triphosphate;
PSA 336.11000
LogP -0.54220

8-Azidoadenosine 5'-triphosphate Specification

The Adenosine5'-(tetrahydrogen triphosphate), 8-azido-, with the CAS registry number 53696-59-6, is also known as 8-Azidoadenosine 5'-(tetrahydrogen triphosphate). It belongs to the classification codes of Affinity Labels; Indicators and Reagents. This chemical's molecular formula is C₁₀H₁₅N₈O₁₃P₃ and molecular weight is 548.00. What's more, its IUPAC name is called [[(2R,3S,4R,5R)-5-(6-Amino-8-azidopurin-9-yl)-3, 4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

Physical properties about Adenosine5'-(tetrahydrogen triphosphate), 8-azido- are: (1)ACD/LogP: -6.03; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -11.53; (4)ACD/LogD (pH 7.4): -12.04; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 21; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 232.14 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2c(nc1c(ncnc12)N)\N=[N+]=[N-])[C@H](O)[C@@H]3O
(2) InChI: InChI=1S/C10H15N8O13P3/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-6(20)5(19)3(29-9)1-28-33(24,25)31-34(26,27)30-32(21,22)23/h2-3,5-6,9,19-20H,1H2,(H,24,25)(H,26,27)(H2,11,13,14)(H2,21,22,23)/t3-,5-,6-,9-/m1/s1
(3) InChIKey: PQISXOFEOCLOCT-UUOKFMHZSA-N

Product Name

8-AZIDOADENOSINE 5'-TRIPHOSPHATE, SODIUM SALT

8-Azidoadenosine 5'-triphosphate Specification

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