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3'-Deoxy-N6-ethyladenosine

CAT: 0931-TNU1555-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1555-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3608-60-4
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Bioactivity
3'-Deoxy-N6-ethyladenosine is a Nucleoside Derivative - 3'-Modified nucleoside, 6-Modified purine nucleoside;3'-Deoxy nucleoside.
Smiles
O[C@H]1[C@H](N2C=3C(N=C2)=C(NCC)N=CN3)O[C@H](CO)C1
Molecular Formula
C12H17N5O3
Molecular Weight
279.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3'-Deoxy-N6-ethyladenosine
CAS Number3608-60-4
PubChem CID168449845
IUPAC Name(2R,3R,5S)-2-[6-(ethylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC12H17N5O3
Molecular Weight279.30
XLogP-0.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity334
SMILES
CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H](C[C@H](O3)CO)O
InChI
InChI=1S/C12H17N5O3/c1-2-13-10-9-11(15-5-14-10)17(6-16-9)12-8(19)3-7(4-18)20-12/h5-8,12,18-19H,2-4H2,1H3,(H,13,14,15)/t7-,8+,12+/m0/s1
InChIKey
OYNIDVNVEJTGLR-JOAULVNJSA-N
Chemical Structure
2D Structure
2D structure of 3'-Deoxy-N6-ethyladenosine
CAS: 3608-60-4
CID: 168449845
Formula: C12H17N5O3
MW: 279.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.30
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass279.13313942
Monoisotopic Mass279.13313942
Topological Polar Surface Area105 Ų
Heavy Atom Count20
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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