CAS 122654-32-4 | Adenosine, 3'-deoxy-3'-fluoro-N-(1-oxohexadecyl)- (9CI) | CAS Number 122654-32-4

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122654-32-4 | Adenosine, 3'-deoxy-3'-fluoro-N-(1-oxohexadecyl)- (9CI)

CAS No: 122654-32-4 Catalog No: AG0017KQ MDL No:

Product Description

Catalog Number:

AG0017KQ

Chemical Name:

Adenosine, 3'-deoxy-3'-fluoro-N-(1-oxohexadecyl)- (9CI)

CAS Number:

122654-32-4

Molecular Formula:

C26H42FN5O4

Molecular Weight:

507.6412

IUPAC Name:

N-[9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]hexadecanamide

InChI:

InChI=1S/C26H42FN5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(34)31-24-22-25(29-17-28-24)32(18-30-22)26-23(35)21(27)19(16-33)36-26/h17-19,21,23,26,33,35H,2-16H2,1H3,(H,28,29,31,34)/t19-,21-,23-,26-/m1/s1

InChI Key:

STBFDSBMEYZUMC-PAGNRNNLSA-N

SMILES:

CCCCCCCCCCCCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)F)CO

Properties

Complexity:

633

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

507.322g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

507.651g/mol

Monoisotopic Mass:

507.322g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

122A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Structure-activity relationships of fluorinated nucleoside analogs and their synergistic effect in combination with phosphonoformate against human immunodeficiency virus type 1.	Antimicrobial agents and chemotherapy 19891201