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3-Deaza Adenosine

CAT: 0572-TRC-D200875-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D200875-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6736-58-9
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
Nc1nccc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Molecular Formula
C11 H14 N4 O4
Molecular Weight
266.25
InChI
InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
Additionnal Information
IUPAC name: (2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Deazaadenosine

RN given refers to parent cpd.

CAS Number6736-58-9
PubChem CID23190
IUPAC Name(2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC11H14N4O4
Molecular Weight266.25
XLogP-1.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity334
SMILES
C1=CN=C(C2=C1N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
InChIKey
DBZQFUNLCALWDY-PNHWDRBUSA-N
Chemical Structure
2D Structure
2D structure of 3-Deazaadenosine
CAS: 6736-58-9
CID: 23190
Formula: C11H14N4O4
MW: 266.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.25
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass266.10150494
Monoisotopic Mass266.10150494
Topological Polar Surface Area127 Ų
Heavy Atom Count19
Formal Charge0
Complexity334
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

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