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8-Azaguanosine

CAT: 0572-TRC-A797310-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A797310-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2133-80-4
Synonyms
3H-v-Triazolo[4,5-d]pyrimidin-7(6H)-one, 5-amino-3-β-D-ribofuranosyl- (6CI); 3H-v-Triazolo[4,5-d]pyrimidin-7-ol, 5-amino-3-β-D-ribofuranosyl- (6CI); 5-Amino-3,6-dihydro-3-β-D-ribofuranosyl-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one (ACI); 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-3,4-dihydro-3-β-D-ribofuranosyl- (9CI); 7H-v-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-3,6-dihydro-3-β-D-ribofuranosyl- (7CI, 8CI); 8-Azaguanosine; NSC 130283; NSC 46788
Hazard Statement
No Data Available
Smiles
O=C(NC(N)=N1)C2=C1N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)N=N2
Molecular Formula
C9H12N6O5
Molecular Weight
284.23
InChI
InChI=1S/C9H12N6O5/c10-9-11-6-3(7(19)12-9)13-14-15(6)8-5(18)4(17)2(1-16)20-8/h2,4-5,8,16-18H,1H2,(H3,10,11,12,19)/t2-,4-,5-,8-/m1/s1
Additionnal Information
IUPAC name: 5-amino-3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Shipping Conditions
Room Temperature

Chemical Information

5-Amino-3,6-dihydro-3-beta-D-ribofuranosyl-7H-1,2,3-triazolo(4,5-d)pyrimidin-7-one
CAS Number2133-80-4
PubChem CID135763231
IUPAC Name5-amino-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
Molecular FormulaC9H12N6O5
Molecular Weight284.23
XLogP-3.1
Topological Polar Surface Area168
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity447
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)N=N2)O)O)O
InChI
InChI=1S/C9H12N6O5/c10-9-11-6-3(7(19)12-9)13-14-15(6)8-5(18)4(17)2(1-16)20-8/h2,4-5,8,16-18H,1H2,(H3,10,11,12,19)/t2-,4-,5-,8-/m1/s1
InChIKey
QOVIBFFZCVPCEI-UMMCILCDSA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-3,6-dihydro-3-beta-D-ribofuranosyl-7H-1,2,3-triazolo(4,5-d)pyrimidin-7-one
CAS: 2133-80-4
CID: 135763231
Formula: C9H12N6O5
MW: 284.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.23
XLogP3-3.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass284.08691750
Monoisotopic Mass284.08691750
Topological Polar Surface Area168 Ų
Heavy Atom Count20
Formal Charge0
Complexity447
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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