Tachioside

CAT: 0926-JEA19460-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-JEA19460-02Size:5 mg

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CAS Number

109194-60-7

MDL Number

MFCD20260944

Smiles

COC1=C (C=CC (=C1) OC2C (C (C (C (O2) CO) O) O) O) O

Molecular Formula

C13H18O8

Molecular Weight

302.28 g/mol

Controlled

Chemical Information

Tachioside

from the linseed meal; structure in first source

CAS Number	109194-60-7
PubChem CID	11962143
IUPAC Name	(2S,3R,4S,5S,6R)-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C13H18O8
Molecular Weight	302.28
XLogP	-0.9
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	327

SMILES

COC1=C(C=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

InChI

InChI=1S/C13H18O8/c1-19-8-4-6(2-3-7(8)15)20-13-12(18)11(17)10(16)9(5-14)21-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1

InChIKey

KWVHACHAQJFTLZ-UJPOAAIJSA-N

Chemical Structure

2D Structure

CAS: 109194-60-7

CID: 11962143

Formula: C13H18O8

MW: 302.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.28
XLogP3	-0.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	302.10016753
Monoisotopic Mass	302.10016753
Topological Polar Surface Area	129 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	327
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

Catalog	Name
HY-N1186	Tachioside