CAS 23567-96-6 | 5'-Adenylic acid, 8-bromo- | CAS Number 23567-96-6

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23567-96-6 | 5'-Adenylic acid, 8-bromo-

CAS No: 23567-96-6 Catalog No: AG002NOQ MDL No:

Product Description

Catalog Number:

AG002NOQ

Chemical Name:

5'-Adenylic acid, 8-bromo-

CAS Number:

23567-96-6

Molecular Formula:

C10H13BrN5O7P

Molecular Weight:

426.1173

IUPAC Name:

[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

InChI:

InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1

InChI Key:

DNPIJKNXFSPNNY-UUOKFMHZSA-N

SMILES:

O[C@@H]1[C@H](O)[C@H](O[C@H]1n1c(Br)nc2c1ncnc2N)COP(=O)(O)O

Properties

Complexity:

514

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

424.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

426.12g/mol

Monoisotopic Mass:

424.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

186A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.5

Literature

Title	Journal
Two-step synthesis of novel, bioactive derivatives of the ubiquitous cofactor nicotinamide adenine dinucleotide (NAD).	Journal of medicinal chemistry 20110526
Pacap stimulation of gonadotropin-II secretion in goldfish pituitary cells: mechanisms of action and interaction with gonadotropin releasing hormone signalling.	Journal of neuroendocrinology 20010601