Tianagliflozin

CAT: 0607-BA6951-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6951-10Size:10 mg

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CAS Number

1461750-27-5

Form

A solid

Molecular Formula

C21H25ClO5

Molecular Weight

392.87

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-deoxy-D-glucitol

CAS Number	1461750-27-5
PubChem CID	67891757
IUPAC Name	(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methyloxane-3,4,5-triol
Molecular Formula	C21H25ClO5
Molecular Weight	392.9
XLogP	2.8
Topological Polar Surface Area	79.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	456

SMILES

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)O)O)Cl

InChI

InChI=1S/C21H25ClO5/c1-3-26-16-7-4-13(5-8-16)10-15-11-14(6-9-17(15)22)21-20(25)19(24)18(23)12(2)27-21/h4-9,11-12,18-21,23-25H,3,10H2,1-2H3/t12-,18-,19+,20-,21+/m1/s1

InChIKey

YCEUTZKYUQXUCF-JLBFBPAZSA-N

Chemical Structure

2D Structure

CAS: 1461750-27-5

CID: 67891757

Formula: C21H25ClO5

MW: 392.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	392.9
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	392.1390516
Monoisotopic Mass	392.1390516
Topological Polar Surface Area	79.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	456
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-116223-01	Tianagliflozin
AR-T05059-01	Tianagliflozin-d5

Tianagliflozin

Chemical Information

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