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Substance Name: Populin dihydrate
RN: 7276-44-0
UNII: Z70C6N4LNN
InChIKey: XPYPVKQTPCNZNQ-PJJCQYAXSA-N

Molecular Weight

  • 426.4154
 
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Names and Synonyms

Name of Substance

  • Populin dihydrate

Synonyms

  • beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, 6-benzoate, dihydrate
  • Populin dihydrate [MI]
  • Populin, dihydrate
  • UNII-Z70C6N4LNN

Registry Numbers

CAS Registry Number

  • 7276-44-0

FDA UNII

  • Z70C6N4LNN

System Generated Number

  • 0007276440

Structure Descriptors

InChI

1S/C20H22O8.2H2O/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;2*1H2/t15-,16-,17+,18-,20-;;/m1../s1

InChIKey

XPYPVKQTPCNZNQ-PJJCQYAXSA-N

Smiles

c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3ccccc3CO)O)O)O.O.O