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8-Oxo-2’-deoxyadenosine

CAT: 0572-TRC-O850225-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O850225-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62471-63-0
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Nc1ncnc2N([C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)Nc12
Molecular Formula
C10 H13 N5 O4
Molecular Weight
267.24
InChI
InChI=1S/C10H13N5O4/c11-8-7-9(13-3-12-8)15(10(18)14-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H,14,18)(H2,11,12,13)/t4-,5+,6+/m0/s1
Additionnal Information
IUPAC name: 6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-8-one
Shipping Conditions
Dry Pack
Storage Conditions
-20°C

Chemical Information

2'-Deoxy-7,8-dihydro-8-oxoadenosine

structure given in first source

CAS Number62471-63-0
PubChem CID124925
IUPAC Name6-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-8-one
Molecular FormulaC10H13N5O4
Molecular Weight267.24
XLogP-1.5
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity370
SMILES
C1[C@@H]([C@H](OC1N2C3=NC=NC(=C3NC2=O)N)CO)O
InChI
InChI=1S/C10H13N5O4/c11-8-7-9(13-3-12-8)15(10(18)14-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H,14,18)(H2,11,12,13)/t4-,5+,6?/m0/s1
InChIKey
NDWAUKFSFFRGLF-YRZWDFBDSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxy-7,8-dihydro-8-oxoadenosine
CAS: 62471-63-0
CID: 124925
Formula: C10H13N5O4
MW: 267.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.24
XLogP3-1.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass267.09675391
Monoisotopic Mass267.09675391
Topological Polar Surface Area134 Ų
Heavy Atom Count19
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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