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Substance Name: Aucubin
RN: 479-98-1
UNII: 2G52GS8UML
InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-N

Molecular Formula

  • C15-H22-O9

Molecular Weight

  • 346.33
 
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Names and Synonyms

Name of Substance

  • Aucubin

Synonyms

  • Aucubin
  • EINECS 207-540-8
  • NSC 407293
  • UNII-2G52GS8UML

Systematic Names

  • (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside
  • 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside

Registry Numbers

CAS Registry Number

  • 479-98-1

FDA UNII

  • 2G52GS8UML

System Generated Number

  • 0000479981

Structure Descriptors

InChI

1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1

InChIKey

RJWJHRPNHPHBRN-FKVJWERZSA-N

Smiles

O[C@@H]1C=C([C@H]2[C@@H](OC=C[C@@H]12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CO

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -3.490 (none)   EST
Water Solubility 3.56E+05 mg/L 20 EXP
Atmospheric OH Rate Constant 2.44E-10 cm3/molecule-sec 25 EST

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