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Xanthosine

CAT: 0926-NX02884-04Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-NX02884-04Size:100 g
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CAS Number
146-80-5
Synonyms
9-β-D-Ribofuranosylxanthine
Smiles
C1=NC2=C (N1[C@H]3[C@@H] ([C@@H] ([C@H] (O3) CO) O) O) NC (=O) NC2=O
Molecular Formula
C10H12N4O6
Molecular Weight
284.23 g/mol
Controlled
No

Chemical Information

Xanthosine

Xanthosine is a purine nucleoside in which xanthine is attached to ribofuranose via a beta-N9-glycosidic bond. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a purines D-ribonucleoside and a member of xanthosines.

CAS Number146-80-5
PubChem CID64959
IUPAC Name9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
Molecular FormulaC10H12N4O6
Molecular Weight284.23
XLogP-2.4
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity434
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O
InChI
InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
InChIKey
UBORTCNDUKBEOP-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of Xanthosine
CAS: 146-80-5
CID: 64959
Formula: C10H12N4O6
MW: 284.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.23
XLogP3-2.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass284.07568412
Monoisotopic Mass284.07568412
Topological Polar Surface Area146 Ų
Heavy Atom Count20
Formal Charge0
Complexity434
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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Alternative Products

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