(2R,3R,4S,5R)-2-(2-Amino-6-((2,3-dihydro-1H-inden-1-yl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | CAS No. 96323-22-7

(2R,3R,4S,5R)-2-(2-Amino-6-((2,3-dihydro-1H-inden-1-yl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Basic Information

CAS Number

96323-22-7

Molecular Formula

C19H22N6O4

Molecular Weight

398.42 g/mol

AD

Basic Physical Properties

Density

1.80±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (3.5E-3 g/L) (25 ºC),

OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=C(N)N=C3NC4CCC5=C4C=CC=C5)O1)O)O

InChI

1S/C19H22N6O4/c20-19-23-16(22-11-6-5-9-3-1-2-4-10(9)11)13-17(24-19)25(8-21-13)18-15(28)14(27)12(7-26)29-18/h1-4,8,11-12,14-15,18,26-28H,5-7H2,(H3,20,22,23,24)/t11?,12-,14-,15-,18-/m1/s1

InChIKey

HLFDVZFZEVPTBP-JJPFLPBXSA-N

LogP

0.1193999999999994

Topological Polar Surface Area

151.57 Ų

Hydrogen Bond Donor/Acceptor

6 / 10

Synonyms & References

English

  • Adenosine, 2-amino-n-(2,3-dihydro-1h-inden-1-yl)-
  • Adenosine, 2-amino-N-(2,3-dihydro-1H-inden-1-yl)- (9CI)

MDL Number

MFCD26523149

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