1-Hydroxy Empagliflozin

CAT: 0572-TRC-H941833-25MGSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-H941833-25MGSize:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1279691-35-8

Synonyms

1-C-[4-Chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-alpha-D-glucopyranose;

Hazard Statement

Not a hazardous substance according to GHS.

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OC[C@H]1O[C@](O)([C@H](O)[C@@H](O)[C@@H]1O)c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2

Molecular Formula

C23H27ClO8

Molecular Weight

466.91

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

1-C-(4-Chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-I+--D-glucopyranose

CAS Number	1279691-35-8
PubChem CID	24952982
IUPAC Name	(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Molecular Formula	C23H27ClO8
Molecular Weight	466.9
XLogP	1.3
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	603

SMILES

C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)Cl

InChI

InChI=1S/C23H27ClO8/c24-18-6-3-15(23(29)22(28)21(27)20(26)19(11-25)32-23)10-14(18)9-13-1-4-16(5-2-13)31-17-7-8-30-12-17/h1-6,10,17,19-22,25-29H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1

InChIKey

YZGOOQZXQOPQNT-QZMOQZSNSA-N

Chemical Structure

2D Structure

CAS: 1279691-35-8

CID: 24952982

Formula: C23H27ClO8

MW: 466.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	466.9
XLogP3	1.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	466.1394455
Monoisotopic Mass	466.1394455
Topological Polar Surface Area	129 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	603
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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