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Chemistry

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Also known as: Adenosine, n-methyl-2'-o-methyl-, 57821-29-1, A903628, N6-methyl-2'-o-methyladenosine:(2r,3r,4r,5r)-2-(hydroxymethyl)-4-methoxy-5-(6-(methylamino)-9h-purin-9-yl)tetrahydrofuran-3-ol
Molecular Formula
C12H17N5O4
Molecular Weight
295.29  g/mol
InChI Key
GRYSXUXXBDSYRT-UHFFFAOYSA-N

Sulodexide
1 2D Structure

Sulodexide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
2.1.2 InChI
InChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)
2.1.3 InChI Key
GRYSXUXXBDSYRT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Adenosine, N-methyl-2'-o-methyl-

2. 57821-29-1

3. A903628

4. N6-methyl-2'-o-methyladenosine:(2r,3r,4r,5r)-2-(hydroxymethyl)-4-methoxy-5-(6-(methylamino)-9h-purin-9-yl)tetrahydrofuran-3-ol

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 295.29 g/mol
Molecular Formula C12H17N5O4
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass295.12805404 g/mol
Monoisotopic Mass295.12805404 g/mol
Topological Polar Surface Area115 Ų
Heavy Atom Count21
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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