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Opuntioside

CAT: 0013-GTR19242884-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242884-04Size:25 mg
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Description
Opuntioside is a natural product for life science research. Studies indicate its potential application in investigating anti-inflammatory and antioxidant activities in both in vitro and in vivo experimental models.
CAS Number
497179-09-6
Smiles
O (CC1=CC (OC) =CC (=O) O1) [C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O
Molecular Formula
C13H18O9
Molecular Weight
318.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Opuntioside-I
CAS Number497179-09-6
PubChem CID11141672
IUPAC Name4-methoxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyran-2-one
Molecular FormulaC13H18O9
Molecular Weight318.28
XLogP-2
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity472
SMILES
COC1=CC(=O)OC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C13H18O9/c1-19-6-2-7(21-9(15)3-6)5-20-13-12(18)11(17)10(16)8(4-14)22-13/h2-3,8,10-14,16-18H,4-5H2,1H3/t8-,10-,11+,12-,13-/m1/s1
InChIKey
OQVZJGGNKYGQLT-KABOQKQYSA-N
Chemical Structure
2D Structure
2D structure of Opuntioside-I
CAS: 497179-09-6
CID: 11141672
Formula: C13H18O9
MW: 318.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.28
XLogP3-2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass318.09508215
Monoisotopic Mass318.09508215
Topological Polar Surface Area135 Ų
Heavy Atom Count22
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN8700-01Opuntioside

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