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Substance Name: Populin
RN: 99-17-2
UNII: XC8BY5AX02
InChIKey: HHSKNLJWHGXWPK-BFMVXSJESA-N

Note

  • From Chinese white poplar (Populus tomentosa) leaf.

Molecular Formula

  • C20-H22-O8

Molecular Weight

  • 390.386
 
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Names and Synonyms

Name of Substance

  • Populin

Synonyms

  • EINECS 202-737-5
  • NSC 128308
  • Populine
  • Salicin, 6'-benzoate
  • UNII-XC8BY5AX02

Systematic Names

  • 2-(Hydroxymethyl)phenyl-beta-D-glucopyranoside 6-benzoate
  • beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, 6-benzoate (9CI)
  • Populin (8CI)

Registry Numbers

CAS Registry Number

  • 99-17-2

FDA UNII

  • XC8BY5AX02

System Generated Number

  • 0000099172

Structure Descriptors

InChI

1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1

InChIKey

HHSKNLJWHGXWPK-BFMVXSJESA-N

Smiles

O=C(c1ccccc1)OC[C@@H]1[C@@H](O)[C@@H]([C@H]([C@@H](O1)Oc1ccccc1CO)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 180 deg C   EXP
log P (octanol-water) 0.830 (none)   EST
Water Solubility 500 mg/L   EXP
Atmospheric OH Rate Constant 9.00E-11 cm3/molecule-sec 25 EST

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