CAS 1492-62-2 | Adenosine 5'-(tetrahydrogen triphosphate), 2-fluoro- | CAS Number 1492-62-2

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1492-62-2 | Adenosine 5'-(tetrahydrogen triphosphate), 2-fluoro-

CAS No: 1492-62-2 Catalog No: AG001LGX MDL No:

Product Description

Catalog Number:

AG001LGX

Chemical Name:

Adenosine 5'-(tetrahydrogen triphosphate), 2-fluoro-

CAS Number:

1492-62-2

Molecular Formula:

C10H15FN5O13P3

Molecular Weight:

525.1715

IUPAC Name:

[[(2R,3S,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

InChI:

InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1

InChI Key:

PIOKUWLZUXUBCO-UUOKFMHZSA-N

SMILES:

O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(F)nc2N

Properties

Complexity:

836

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

524.986g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

525.172g/mol

Monoisotopic Mass:

524.986g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

279A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-5.3

Literature

Title	Journal
2-Fluoro-ATP as a versatile tool for 19F NMR-based activity screening.	Journal of the American Chemical Society 20080507
Enzymatic synthesis and 19F NMR studies of 2-fluoroadenine-substituted RNA.	Journal of the American Chemical Society 20040929