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N6-(2-Hydroxyethyl)-2'-deoxyadenosine

CAT: 0572-TRC-H941985-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H941985-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137058-94-7
Synonyms
2'-Deoxy-N-(2-hydroxyethyl)adenosine;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
O[C@H]1C[C@H](N(C=N2)C3=C2C(NCCO)=NC=N3)O[C@@H]1CO
Molecular Formula
C12H17N5O4
Molecular Weight
295.29
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N6-(2-Hydroxyethyl)-2'-deoxyadenosine
CAS Number137058-94-7
PubChem CID15168256
IUPAC Name(2R,3S,5R)-5-[6-(2-hydroxyethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC12H17N5O4
Molecular Weight295.29
XLogP-0.9
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity350
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCCO)CO)O
InChI
InChI=1S/C12H17N5O4/c18-2-1-13-11-10-12(15-5-14-11)17(6-16-10)9-3-7(20)8(4-19)21-9/h5-9,18-20H,1-4H2,(H,13,14,15)/t7-,8+,9+/m0/s1
InChIKey
KIAMDXBTZWMIAM-DJLDLDEBSA-N
Chemical Structure
2D Structure
2D structure of N6-(2-Hydroxyethyl)-2'-deoxyadenosine
CAS: 137058-94-7
CID: 15168256
Formula: C12H17N5O4
MW: 295.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight295.29
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass295.12805404
Monoisotopic Mass295.12805404
Topological Polar Surface Area126 Ų
Heavy Atom Count21
Formal Charge0
Complexity350
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