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Securiterpenoside

CAT: 0013-GTR19228896-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228896-02Size:2 mg
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Description
Securiterpenoside (CAS 479677-95-7) is a bioactive natural product used in life science research. It serves as a valuable tool compound for pharmacological studies, with applications in both in vitro and in vivo experimental models to investigate biological pathways.
CAS Number
479677-95-7
Smiles
OC[C@H]1O[C@@H] (OCCC (=C) C (O) =O) [C@H] (O) [C@@H] (O) [C@@H]1O
Molecular Formula
C11H18O8
Molecular Weight
278.257
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Securiterpenoside

2-methylidene-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid is a lipopolysaccharide.

CAS Number479677-95-7
PubChem CID5321222
IUPAC Name2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
Molecular FormulaC11H18O8
Molecular Weight278.26
XLogP-1.6
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity331
SMILES
C=C(CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)O
InChI
InChI=1S/C11H18O8/c1-5(10(16)17)2-3-18-11-9(15)8(14)7(13)6(4-12)19-11/h6-9,11-15H,1-4H2,(H,16,17)/t6-,7-,8+,9-,11-/m1/s1
InChIKey
QJALTHDWQWOLLT-ZBGLXGBJSA-N
Chemical Structure
2D Structure
2D structure of Securiterpenoside
CAS: 479677-95-7
CID: 5321222
Formula: C11H18O8
MW: 278.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight278.26
XLogP3-1.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass278.10016753
Monoisotopic Mass278.10016753
Topological Polar Surface Area137 Ų
Heavy Atom Count19
Formal Charge0
Complexity331
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

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