CAS 17659-78-8 | Adenosine, N-(3-methylbutyl)- | CAS Number 17659-78-8

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17659-78-8 | Adenosine, N-(3-methylbutyl)-

CAS No: 17659-78-8 Catalog No: AG0024RK MDL No:

Product Description

Catalog Number:

AG0024RK

Chemical Name:

Adenosine, N-(3-methylbutyl)-

CAS Number:

17659-78-8

Molecular Formula:

C15H23N5O4

Molecular Weight:

337.3742

IUPAC Name:

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbutylamino)purin-9-yl]oxolane-3,4-diol

InChI:

InChI=1S/C15H23N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-9,11-12,15,21-23H,3-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1

InChI Key:

AYGMJXUCSYBOMJ-SDBHATRESA-N

SMILES:

OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCCC(C)C

EC Number:

241-638-1

Properties

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

337.175g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

337.38g/mol

Monoisotopic Mass:

337.175g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
N⁶-Alkyladenosines: Synthesis and evaluation of in vitro anticancer activity.	Bioorganic & medicinal chemistry 20101201
Influence of N6-isopentenyladenosine (i(6)A) on thermal stability of RNA duplexes.	Biophysical chemistry 20010702