Name: Name:(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(methylthio)tetrahydro-2h-pyran-3,4,5-triol
Brand: Angene
SKU: AG0005U7
Rating: 90 (10 reviews)

(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(methylthio)tetrahydro-2h-pyran-3,4,5-triol

CAS No.:

1018899-04-1

Catalog Number:

AG0005U7

Molecular Formula:

C21H25ClO5S

Molecular Weight:

424.9382

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$97

- +

5mg

99%

1 week

United States

$196

- +

10mg

99%

1 week

United States

$265

- +

25mg

99%

1 week

United States

$460

- +

50mg

99%

1 week

United States

$682

- +

Product Description

Catalog Number:

AG0005U7

Chemical Name:

(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(methylthio)tetrahydro-2h-pyran-3,4,5-triol

CAS Number:

1018899-04-1

Molecular Formula:

C21H25ClO5S

Molecular Weight:

424.9382

MDL Number:

MFCD22493506

IUPAC Name:

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol

InChI:

InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1

InChI Key:

QKDRXGFQVGOQKS-CRSSMBPESA-N

SMILES:

CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](SC)[C@H]([C@@H]([C@H]1O)O)O

UNII:

6B4ZBS263Y

Properties

Complexity:

476

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

424.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

424.936g/mol

Monoisotopic Mass:

424.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Development of sotagliflozin, a dual sodium-dependent glucose transporter 1/2 inhibitor.	Diabetes & vascular disease research 20150301
LX4211, a dual SGLT1/SGLT2 inhibitor, improved glycemic control in patients with type 2 diabetes in a randomized, placebo-controlled trial.	Clinical pharmacology and therapeutics 20120801

Properties