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Substance Name: Adenosine N(1)-oxide
RN: 146-92-9
InChIKey: BPNBKNXDHVOEJJ-KQYNXXCUSA-N

Molecular Formula

  • C10-H13-N5-O5

Molecular Weight

  • 283.2427
 
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Names and Synonyms

Name of Substance

  • Adenosine N(1)-oxide

Synonyms

  • AI3-62724
  • EINECS 205-683-0

Systematic Names

  • Adenosine N1-oxide
  • Adenosine, 1-oxide, monohydrate

Registry Numbers

CAS Registry Number

  • 146-92-9

System Generated Number

  • 0000146929

Structure Descriptors

InChI

1S/C10H13N5O5/c11-8-5-9(13-2-12-8)14(3-15(5)19)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChIKey

BPNBKNXDHVOEJJ-KQYNXXCUSA-N

Smiles

c1nc(c2c(n1)n(cn2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.080 (none)   EST
Water Solubility 6.94 mg/L 25 EXP
Atmospheric OH Rate Constant 2.38E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.