1 2D Structure

2D Structure

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 Formula	C₁₂H₁₇N₅O₄
Molecular Weight	295.29 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	295.12805404 g/mol
Monoisotopic Mass	295.12805404 g/mol
Topological Polar Surface Area	115 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	363
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Sulodexide