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SPD-756

CAT: 0931-T28833-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28833-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
280138-71-8
Target
HIV Protease, Others
Related Pathways
Others, Microbiology/Virology, Proteases/Proteasome
Bioactivity
SPD-756, a nucleoside reverse transcriptase inhibitor, is used potentially for the treatment of HIV infection.
Smiles
N(C1=C2C(N(C=N2)[C@@H]3O[C@H](CO)OC3)=NC(N)=N1)C4CC4
Molecular Formula
C12H16N6O3
Molecular Weight
292.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
CAS Number280138-71-8
PubChem CID485995
IUPAC Name[(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
Molecular FormulaC12H16N6O3
Molecular Weight292.29
XLogP-0.4
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity384
SMILES
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@H]4CO[C@H](O4)CO
InChI
InChI=1S/C12H16N6O3/c13-12-16-10(15-6-1-2-6)9-11(17-12)18(5-14-9)7-4-20-8(3-19)21-7/h5-8,19H,1-4H2,(H3,13,15,16,17)/t7-,8-/m1/s1
InChIKey
ATSMZGDYBPOXMZ-HTQZYQBOSA-N
Chemical Structure
2D Structure
2D structure of [(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
CAS: 280138-71-8
CID: 485995
Formula: C12H16N6O3
MW: 292.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.29
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass292.12838839
Monoisotopic Mass292.12838839
Topological Polar Surface Area120 Ų
Heavy Atom Count21
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS5778503SPD-756
GTR19208216-01NO 756
HY-169949TAK-756
HY-106998DC-756
MBS3615345-01K-756
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GTR19277101-01CRBN ligand-756
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