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(3s,3'R,4'S,5'S,6'R)-5-[(4-Ethylphenyl)Methyl]-6'-(Hydroxymethyl)Spiro[1h-2-Benzofuran-3,2'-Oxane]-3',4',5'-Triol,Hydrate

Error correction

(3S,3'R,4'S,5'S,6'R)-5-[(4-Ethylphenyl)Methyl]-6'-(Hydroxymethyl)Spiro[1H-2-Benzofuran-3,2'-Oxane]-3',4',5'-Triol,Hydrate / CAS : 1201913-82-7

Appearance white solid UN -
HS 29329990 DG Class -
Synonyms Tofogliflozin Hydrate; Tofogliflozin (Hydrate); Tofogliflozin Monohydrate; Unii-P8Dd8Kx4O4; (1S,3'R,4'S,5'S,6'R)-6-(4-Ethylbenzyl)-6'-(Hydroxymethyl)-3',4',5',6'-Tetrahydro-3H-Spiro[Isobenzofuran-1,2'-Pyran]-3',4',5'-Triol Hydrate; Tofogliflozin
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Properties

Summary

Formula
C22H28O7
Molecular Mass
404.45400
Exact Mass
404.18400
PSA
108.61000
Logp
0.93230
IUPAC
(3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hydrate
SMILES
CCC1=CC=C(C=C1)CC2=CC3=C(CO[C@@]34[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C2.O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Appearance
white solid
Acidity and Basicity
neutral

Export information

HS Code
29329990
Export Rebate
13%

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