(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

Catalog No. :: ACELDQ879
CAS No. :: 1201913-82-7
Molecular Formula :: C22H28O7
Molecular Weight :: 404.46

IUPAC Name:(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

(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 structure diagram

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Product Information

Product Name	(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
IUPAC Name	(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
MDL No.	MFCD28385880
Molecular Formula	C22H28O7
Molecular Weight	404.46
SMILES	O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]21OCC3=C2C=C(CC4=CC=C(CC)C=C4)C=C3.[H]O[H]
InChI Key	ZXOCGDDVNPDRIW-NHFZGCSJSA-N
Synonym	tofogliflozin hydrate \| 1201913-82-7 \| TOFOGLIFLOZIN \| Tofogliflozin (hydrate) \| Tofogliflozin monohydrate \| CSG452 \| Tofogliflozin [USAN] \| P8DD8KX4O4 \| Tofogliflozin (USAN) \| CSG-452 hydrate \| Tofogliflozin hydrate (JAN) \| (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(h
CAS No.	1201913-82-7
PubChem CID	46908928

Safety Data

Pictogram
Signal Word: Warning
Hazard Statement(s): H302
Precautionary Statement(s): P261-P305+P351+P338

Synthetic Route by SureRoute

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(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

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Synthetic Route by SureRoute

1. ACELDQ879 Molecular Building Block Synthetic Route

2. ACELDQ879 Molecular Building Block Synthetic Route

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(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

Product Information

Safety Data

Synthetic Route by SureRoute

(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

(1S,3'R,4'S,5'S,6'R)-6,6'-Bis(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[isobenzofuran-1,2'-pyran]-3',4',5'-triol

(2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol

(3R,4S,5S,6R)-2-(4-Chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol

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