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2'-O-Hexadecanyl-2-aminoadenosine

CAT: 0013-GTR19213860-01Size: 5 mgDry Ice: NoHazardous: No
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Description
2’-O-Hexadecanyl-2-aminoadenosine (CAS 2382942-28-9) is a modified nucleoside analog used in life science research. It serves as a biochemical tool for studying nucleotide metabolism and enzyme interactions in both in vitro assays and cellular systems.
CAS Number
2382942-28-9
Field of Research
Cell Biology, Molecular Biology
Smiles
O (CCCCCCCCCCCCCCCC) [C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=C (N) N3) O[C@H] (CO) [C@H]1O
Molecular Formula
C26H46N6O4
Molecular Weight
506.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2'-O-Hexadecanyl-2-aminoadenosine
CAS Number2382942-28-9
PubChem CID168450040
IUPAC Name(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-hexadecoxy-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC26H46N6O4
Molecular Weight506.7
XLogP6.8
Topological Polar Surface Area155
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count36
Formal Charge0
Complexity591
SMILES
CCCCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)O
InChI
InChI=1S/C26H46N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-35-22-21(34)19(17-33)36-25(22)32-18-29-20-23(27)30-26(28)31-24(20)32/h18-19,21-22,25,33-34H,2-17H2,1H3,(H4,27,28,30,31)/t19-,21-,22-,25-/m1/s1
InChIKey
LWEQWTRVPUIMLN-PTGPVQHPSA-N
Chemical Structure
2D Structure
2D structure of 2'-O-Hexadecanyl-2-aminoadenosine
CAS: 2382942-28-9
CID: 168450040
Formula: C26H46N6O4
MW: 506.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight506.7
XLogP36.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass506.35805397
Monoisotopic Mass506.35805397
Topological Polar Surface Area155 Ų
Heavy Atom Count36
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes