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2'-O-MOE-rA (Bz)

CAT: 0936-NS060-1KSize: 1 KgDry Ice: NoHazardous: No
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CAT#:0936-NS060-1KSize:1 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
333335-93-6
Storage Conditions
2-8°C. Keep in dry place.

Chemical Information

Adenosine, N-benzoyl-2'-O-(2-methoxyethyl)-
CAS Number333335-93-6
PubChem CID21348490
IUPAC NameN-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]purin-6-yl]benzamide
Molecular FormulaC20H23N5O6
Molecular Weight429.4
XLogP0.3
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity594
SMILES
COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO)O
InChI
InChI=1S/C20H23N5O6/c1-29-7-8-30-16-15(27)13(9-26)31-20(16)25-11-23-14-17(21-10-22-18(14)25)24-19(28)12-5-3-2-4-6-12/h2-6,10-11,13,15-16,20,26-27H,7-9H2,1H3,(H,21,22,24,28)/t13-,15-,16-,20-/m1/s1
InChIKey
RUFJMCSVNNGZFB-KHTYJDQRSA-N
Chemical Structure
2D Structure
2D structure of Adenosine, N-benzoyl-2'-O-(2-methoxyethyl)-
CAS: 333335-93-6
CID: 21348490
Formula: C20H23N5O6
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.4
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass429.16483347
Monoisotopic Mass429.16483347
Topological Polar Surface Area141 Ų
Heavy Atom Count31
Formal Charge0
Complexity594
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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