9-(beta-D-Arabinofuranosyl)-9H-purin-6-amine | CAS No. 5536-17-4

9-(beta-D-Arabinofuranosyl)-9H-purin-6-amine

Basic Information

CAS Number

5536-17-4

Molecular Formula

C10H13N5O4

Molecular Weight

267.25 g/mol

AD

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

260-265 °C (dec.)

Boiling Point

410.43°C (rough estimate)

Water Solubility

Soluble in DMF (10 mg/ml), 0.5 M HCl (50 mg/ml), DMSO (53 mg/ml at 25°C), ethanol (<1 mg/ml at 25°C), and water (3 mg/ml at 25°C).

Refractive Index

1.7610 (estimate)

Specific Rotation

D27 -5° (c = 0.25)

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N

InChI

InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1

InChIKey

OIRDTQYFTABQOQ-UHTZMRCNSA-N

LogP

-1.9799999999999998

Topological Polar Surface Area

139.54000000000002 Ų

Hydrogen Bond Donor/Acceptor

5 / 9

Complexity

335

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(a) Class 6.1(a)

Toxicity

LD50 in mice (mg/kg): 4677 i.p.; >7950 orally (Kurtz)

Synonyms & References

English

  • HMS3714I18
  • 9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-
  • Vira-A
  • NSC-404241
  • Adenine, 9-beta-D-arabinofuranosyl-
  • Spectrum3_000580
  • PDSP1_001036
  • NS00124064
  • Arasena-A
  • (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • CHEMBL1090
  • NC00547
  • beta-D-Arabinofuranosyladenine
  • 6-amino-9-(beta-D-arabinofuranosyl)purine
  • Adenine 9-ss -D-arabinofuranoside
  • AI3-52821
  • 5536-17-4
  • beta-D-Arabinosyladenine
  • BRN 0624881
  • Adenine-9-beta-D-arabinofuranoside
  • KBioSS_002424
  • NCGC00023673-08
  • Adenine beta-D-arabinofuranoside
  • NSC 247519
  • araA
  • Vidarabin
  • CI-673
  • DS-1755
  • 9-beta-Arabinoadenosine
  • 3XQD2MEW34
  • D06298

MDL Number

MFCD00065471

Customs Code

29349990

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