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5'-O-Acetyl Adenosine

CAT: 0572-TRC-A168060-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A168060-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2140-25-2
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Molecular Formula
C12 H15 N5 O5
Molecular Weight
309.28
InChI
InChI=1S/C12H15N5O5/c1-5(18)21-2-6-8(19)9(20)12(22-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
Additionnal Information
IUPAC name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5'-O-Acetyl Adenosine
CAS Number2140-25-2
PubChem CID11953391
IUPAC Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
Molecular FormulaC12H15N5O5
Molecular Weight309.28
XLogP-1
Topological Polar Surface Area146
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity427
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C12H15N5O5/c1-5(18)21-2-6-8(19)9(20)12(22-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKey
RMIAANGDAQJRIT-WOUKDFQISA-N
Chemical Structure
2D Structure
2D structure of 5'-O-Acetyl Adenosine
CAS: 2140-25-2
CID: 11953391
Formula: C12H15N5O5
MW: 309.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.28
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass309.10731860
Monoisotopic Mass309.10731860
Topological Polar Surface Area146 Ų
Heavy Atom Count22
Formal Charge0
Complexity427
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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