Dianthoside

CAT: 0013-GTR19231605-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19231605-02Size:2 mg

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Description

Dianthoside (CAS 20847-13-6) is a natural product suitable for use as an analytical reference standard. It is utilized in phytochemical and pharmacological research, including in vitro studies investigating its bioactive properties.

CAS Number

20847-13-6

Smiles

Cc1occc (=O) c1O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O

Molecular Formula

C12H16O8

Molecular Weight

288.252

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Dianthoside

2-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one is a glycoside.

CAS Number	20847-13-6
PubChem CID	5316639
IUPAC Name	2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one
Molecular Formula	C12H16O8
Molecular Weight	288.25
XLogP	-1.4
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	443

SMILES

CC1=C(C(=O)C=CO1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1

InChIKey

YGSIRXHFAUFUEJ-GPTQDWHKSA-N

Chemical Structure

2D Structure

CAS: 20847-13-6

CID: 5316639

Formula: C12H16O8

MW: 288.25

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	288.25
XLogP3	-1.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	288.08451746
Monoisotopic Mass	288.08451746
Topological Polar Surface Area	126 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	443
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
T125380-01	Dianthoside

Dianthoside

Chemical Information

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