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Isowyosine

CAT: 0572-TRC-I918635-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I918635-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
577773-09-2
Synonyms
3-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6,7-dimethyl-3H-imidazo[1,2-a]purin-9(4H)-one;3,4-Dihydro-6,7-dimethyl-3-beta-D-ribofuranosyl-9H-imidazo[1,2-a]purin-9-one;imG2
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Cc1nc2Nc3c(ncn3[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)C(=O)n2c1C
Molecular Formula
C14H17N5O5
Molecular Weight
335.32
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Isowyosine
CAS Number577773-09-2
PubChem CID90658787
IUPAC Name3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dimethyl-5H-imidazo[1,2-a]purin-9-one
Molecular FormulaC14H17N5O5
Molecular Weight335.32
XLogP-1.6
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity637
SMILES
CC1=C(N2C(=O)C3=C(N=C2N1)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C
InChI
InChI=1S/C14H17N5O5/c1-5-6(2)19-12(23)8-11(17-14(19)16-5)18(4-15-8)13-10(22)9(21)7(3-20)24-13/h4,7,9-10,13,20-22H,3H2,1-2H3,(H,16,17)/t7-,9-,10-,13-/m1/s1
InChIKey
BINGDNLMMYSZFR-QYVSTXNMSA-N
Chemical Structure
2D Structure
2D structure of Isowyosine
CAS: 577773-09-2
CID: 90658787
Formula: C14H17N5O5
MW: 335.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight335.32
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass335.12296866
Monoisotopic Mass335.12296866
Topological Polar Surface Area132 Ų
Heavy Atom Count24
Formal Charge0
Complexity637
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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