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2'-O- (2-Methoxyethyl) -2-aminoadenosine

CAT: 0931-TNU0243-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0243-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
256224-13-2
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Others, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Bioactivity
Nucleoside Derivatives - 2'-Modified nucleosides, 2-Modified purine nucleosides
Smiles
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=C(N)N3
Molecular Formula
C13H20N6O5
Molecular Weight
340.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Amino-2'-O-(2-methoxyethyl)adenosine
CAS Number256224-13-2
PubChem CID15485095
IUPAC Name(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-(2-methoxyethoxy)oxolan-3-ol
Molecular FormulaC13H20N6O5
Molecular Weight340.34
XLogP-1.1
Topological Polar Surface Area164
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity420
SMILES
COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)O
InChI
InChI=1S/C13H20N6O5/c1-22-2-3-23-9-8(21)6(4-20)24-12(9)19-5-16-7-10(14)17-13(15)18-11(7)19/h5-6,8-9,12,20-21H,2-4H2,1H3,(H4,14,15,17,18)/t6-,8-,9-,12-/m1/s1
InChIKey
ZPWSGIIALWUBNX-WOUKDFQISA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-2'-O-(2-methoxyethyl)adenosine
CAS: 256224-13-2
CID: 15485095
Formula: C13H20N6O5
MW: 340.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight340.34
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass340.14951776
Monoisotopic Mass340.14951776
Topological Polar Surface Area164 Ų
Heavy Atom Count24
Formal Charge0
Complexity420
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