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2'-O-Hexadecanyl-2-aminoadenosine

CAT: 0931-TNU1653-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1653-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2382942-28-9
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
2'-O-Hexadecanyl-2-aminoadenosine is a valuable organic compound for life sciences research [catalog number TNU1653, CAS number 2382942-28-9].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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