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2'-O-Methyl Adenosine-d3

CAT: 0572-TRC-M276152-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M276152-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1195030-24-0
Synonyms
2'-O-(Methyl-D3)-Adenosine;2'-O-Methyl-D-Adenosine-D3;5-(6-Aminopurin-9-Yl)-2-(Hydroxymethyl)-4-Methoxyoxolan-3-Ol-D3
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(N)ncnc23
Molecular Formula
C11 D3 H12 N5 O4
Molecular Weight
284.286
InChI
InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1/i1D3
Additionnal Information
IUPAC name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(trideuteriomethoxy)oxolan-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2'-O-Methyl Adenosine-d3
CAS Number1195030-24-0
PubChem CID164788407
IUPAC Name(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(trideuteriomethoxy)oxolan-3-ol
Molecular FormulaC11H15N5O4
Molecular Weight284.29
XLogP-0.5
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity349
SMILES
[2H]C([2H])([2H])O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChI
InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1/i1D3
InChIKey
FPUGCISOLXNPPC-YZLHILBGSA-N
Chemical Structure
2D Structure
2D structure of 2'-O-Methyl Adenosine-d3
CAS: 1195030-24-0
CID: 164788407
Formula: C11H15N5O4
MW: 284.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.29
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass284.13123421
Monoisotopic Mass284.13123421
Topological Polar Surface Area129 Ų
Heavy Atom Count20
Formal Charge0
Complexity349
Isotope Atom Count3
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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