disodium ATP

• CAS: 987-65-5
• Catalog Number: ACM987655
• Category: Main Products
• Molecular Weight: 551.1
• Molecular Formula: C10H14N5O13P3·2Na
• Synonyms: Adenosine 5'-triphosphate (sodium salt)
• Appearance: Powder

Case Study

Distances Of Disodium Atp Hydrates Measured By Nmr Spectroscopy

Potrzebowski, M. J., et al. Journal of Magnetic Resonance 179.2 (2006): 173-181.

POST-C7 measurements provide restraints that allow to distinguish the lattice organization and to establish intramolecular and/or intermolecular distances between phosphorus atoms of the triphosphate chain of different disodium ATP salt hydrates. The double quantum efficiency as a function of the excitation time obtained from a series of two-dimensional spectra of the POST-C7 experiment is used to establish accumulation curves and semi-quantitative measurements of the P-P length.
Before the measurements the disodium ATP salt was recrystallized as described in the literature. The sample obtained in this way is labeled 1b. The trihydrate 1a was obtained by a diffusion process. One hundred milligrams of ATP were dissolved in a mixture of water/2-propanol (1:2.5 v/v) and the bulb containing the solution was closed in a container filled with 2-propanol. Overnight crystallization at room temperature gave a well-defined trihydrate. The monohydrate 1c was obtained using a similar procedure. The only change was the use of methanol instead of 2-propanol for the diffusion.

Custom Q&A

What is the molecular formula of disodium ATP?

The molecular formula of disodium ATP is C10H14N5Na2O13P3.

What are the synonyms for disodium ATP?

The synonyms for disodium ATP are 987-65-5, ATP disodium salt, Adenosine triphosphate disodium, ATP disodium, Adenosine 5'-triphosphate disodium salt.

What is the molecular weight of disodium ATP?

The molecular weight of disodium ATP is 551.14 g/mol.

What is the IUPAC name of disodium ATP?

The IUPAC name of disodium ATP is disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate.

What is the InChI of disodium ATP?

The InChI of disodium ATP is InChI=1S/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1.

What is the InChIKey of disodium ATP?

The InChIKey of disodium ATP is TTWYZDPBDWHJOR-IDIVVRGQSA-L.

What is the Canonical SMILES of disodium ATP?

The Canonical SMILES of disodium ATP is C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+].

What is the CAS number of disodium ATP?

The CAS number of disodium ATP is 987-65-5.

What is the hydrogen bond donor count of disodium ATP?

The hydrogen bond donor count of disodium ATP is 5.

What is the hydrogen bond acceptor count of disodium ATP?

The hydrogen bond acceptor count of disodium ATP is 17.