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AICAR-Tri-O-Acetate

CAT: 0024-sc-217591Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-217591Size:10 mg
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CAS Number
23274-21-7

Chemical Information

5-Amino-1-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)-imidazole-4-carboxamide
CAS Number23274-21-7
PubChem CID15592037
IUPAC Name[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-amino-4-carbamoylimidazol-1-yl)oxolan-2-yl]methyl acetate
Molecular FormulaC15H20N4O8
Molecular Weight384.34
XLogP-1
Topological Polar Surface Area175
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity615
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=C2N)C(=O)N)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H20N4O8/c1-6(20)24-4-9-11(25-7(2)21)12(26-8(3)22)15(27-9)19-5-18-10(13(19)16)14(17)23/h5,9,11-12,15H,4,16H2,1-3H3,(H2,17,23)/t9-,11-,12-,15-/m1/s1
InChIKey
ZGVQACKXOOWCLS-SDBHATRESA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-1-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)-imidazole-4-carboxamide
CAS: 23274-21-7
CID: 15592037
Formula: C15H20N4O8
MW: 384.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.34
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass384.12811361
Monoisotopic Mass384.12811361
Topological Polar Surface Area175 Ų
Heavy Atom Count27
Formal Charge0
Complexity615
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

CatalogName
MBS6080865-015-Amino-1-(2',3',5'-tri-O-acetyl-b-D-ribofuranosyl)-imidazole-4-carboxamide (AICAR-Tri-O-Acetate)
TRC-B942865-50MGO-Tri-t-Butyldimethylsilyl Tylosin Acetate
TRC-B942854-50MGO-Tri-t-Butyldimethylsilyl Tylosin Acetate-d3
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