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Substance Name: N-Benzoyl-2'-deoxyadenosine
RN: 4546-72-9
InChIKey: PIXHJAPVPCVZSV-YNEHKIRRSA-N

Molecular Formula

  • C17-H17-N5-O4

Molecular Weight

  • 355.352
 
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Names and Synonyms

Synonyms

  • EINECS 224-903-6
  • N-Benzoyldeoxyadenosine

Systematic Names

  • Adenosine, N-benzoyl-2'-deoxy-
  • N-Benzoyl-2'-deoxyadenosine

Registry Numbers

CAS Registry Number

  • 4546-72-9

System Generated Number

  • 0004546729

Structure Descriptors

InChI

1S/C17H17N5O4/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25)/t11-,12+,13+/m0/s1

InChIKey

PIXHJAPVPCVZSV-YNEHKIRRSA-N

Smiles

O1[C@H](CO)[C@@H](O)C[C@@H]1n1c2ncnc(NC(=O)c3ccccc3)c2nc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.22 (none)   EXP
Water Solubility 183 mg/L 25 EST
Vapor Pressure 1.09E-18 mm Hg 25 EST
Henry's Law Constant 1.95E-24 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.34E-10 cm3/molecule-sec 25 EST

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