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3'-O-Levulinyl-2'-deoxyadenosine

CAT: 0931-TNU1126-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1126-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
440327-45-7
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
Nucleoside Derivatives - 3'-Modifed nucleosides, Protected nucleosides with NH2/OH group open; Used for conjugation
Smiles
NC1=C2C(N(C=N2)[C@H]3C[C@H](OC(CCC(C)=O)=O)[C@@H](CO)O3)=NC=N1
Molecular Formula
C15H19N5O5
Molecular Weight
349.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3'-o-Levulinyl-2'-deoxyadenosine
CAS Number440327-45-7
PubChem CID11110869
IUPAC Name[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate
Molecular FormulaC15H19N5O5
Molecular Weight349.34
XLogP-0.8
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity507
SMILES
CC(=O)CCC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C15H19N5O5/c1-8(22)2-3-12(23)25-9-4-11(24-10(9)5-21)20-7-19-13-14(16)17-6-18-15(13)20/h6-7,9-11,21H,2-5H2,1H3,(H2,16,17,18)/t9-,10+,11+/m0/s1
InChIKey
QMLRRPZLOJDYOV-HBNTYKKESA-N
Chemical Structure
2D Structure
2D structure of 3'-o-Levulinyl-2'-deoxyadenosine
CAS: 440327-45-7
CID: 11110869
Formula: C15H19N5O5
MW: 349.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.34
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass349.13861872
Monoisotopic Mass349.13861872
Topological Polar Surface Area142 Ų
Heavy Atom Count25
Formal Charge0
Complexity507
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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Alternative Products

CatalogName
GTR19214436-013'-O-Levulinyl-2'-deoxyadenosine
HY-1543033’-O-Levulinyl-2’-deoxyadenosine
HY-1543025’-O- (4,4’-Dimethoxytrityl) -3’-O-levulinyl-2’-deoxyadenosine
MBS58267195'-O-(4,4'-Dimethoxytrityl)-3'-O-levulinyl-2'-deoxyadenosine
GTR19214437-015'-O- (4,4'-Dimethoxytrityl) -3'-O-levulinyl-2'-deoxyadenosine
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sc-220906A3'-O-Acetyl-2'-deoxyadenosine
NB163013-013’-O-tert-Butyldimethylsilyl-2’-deoxyadenosine
MBS58267313'-O-(t-Butyldimethylsilyl)-2'-deoxyadenosine
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