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4',5'-Didehydro-5'-deoxyadenosine

CAT: 0931-TNU0881-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0881-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20535-04-0
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Others
Bioactivity
4',5'-Didehydro-5'-deoxyadenosine is a Nucleoside Derivative - 5'-Modified nucleoside.
Smiles
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)OC(=C)[C@H]1O
Molecular Formula
C10H11N5O3
Molecular Weight
249.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(6-Aminopurin-9-yl)-5-methylideneoxolane-3,4-diol
CAS Number20535-04-0
PubChem CID274076
IUPAC Name2-(6-aminopurin-9-yl)-5-methylideneoxolane-3,4-diol
Molecular FormulaC10H11N5O3
Molecular Weight249.23
XLogP-1.3
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity354
SMILES
C=C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C10H11N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-3,6-7,10,16-17H,1H2,(H2,11,12,13)
InChIKey
OGHMFWYXBZGWRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(6-Aminopurin-9-yl)-5-methylideneoxolane-3,4-diol
CAS: 20535-04-0
CID: 274076
Formula: C10H11N5O3
MW: 249.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.23
XLogP3-1.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass249.08618923
Monoisotopic Mass249.08618923
Topological Polar Surface Area119 Ų
Heavy Atom Count18
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-1542324′,5′-Didehydro-5′-deoxyadenosine
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sc-5042654,5-Didehydro Brimonidine
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HY-1543734′,5′-Didehydro-2′,5′-dideoxyuridine
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