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4-Demethylwyosine

CAT: 0926-ND159486-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0926-ND159486-01Size:500 µg
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CAS Number
59327-60-5
Synonyms
3,4-Dihydro-6-methyl-3-β-D-ribofuranosyl-9H-imidazo[1,2-α]purin-9-one
Smiles
CC1=CN2C (=O) C3=C (N=C2N1) N (C=N3) C4C (C (C (O4) CO) O) O
Molecular Formula
C13H15N5O5
Molecular Weight
321.29 g/mol
Controlled
No

Chemical Information

4-Demethylwyosine

4-demethylwyosine is a nucleoside analogue having 6-methyl-3,5-dihydro-9H-imidazo[1,2-a]purin-9-one as the modified nucleobase. It is functionally related to a guanosine.

CAS Number59327-60-5
PubChem CID477875
IUPAC Name3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-5H-imidazo[1,2-a]purin-9-one
Molecular FormulaC13H15N5O5
Molecular Weight321.29
XLogP-1.2
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity595
SMILES
CC1=CN2C(=O)C3=C(N=C2N1)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C13H15N5O5/c1-5-2-17-11(22)7-10(16-13(17)15-5)18(4-14-7)12-9(21)8(20)6(3-19)23-12/h2,4,6,8-9,12,19-21H,3H2,1H3,(H,15,16)/t6-,8-,9-,12-/m1/s1
InChIKey
QUZQVVNSDQCAOL-WOUKDFQISA-N
Chemical Structure
2D Structure
2D structure of 4-Demethylwyosine
CAS: 59327-60-5
CID: 477875
Formula: C13H15N5O5
MW: 321.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.29
XLogP3-1.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass321.10731860
Monoisotopic Mass321.10731860
Topological Polar Surface Area132 Ų
Heavy Atom Count23
Formal Charge0
Complexity595
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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