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Helicid

CAT: 1410-M19117-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M19117-01Size:1 Each
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Description
Helicid is a medicine available in a number of countries worldwide.
CAS Number
80154-34-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
284.26
Molecular Formula
C13H16O7
Notes
Research use only, not for human use.
Receptor
PXR

Chemical Information

Helicide

Helicid is a glycoside.

CAS Number80154-34-3
PubChem CID12896796
IUPAC Name4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
Molecular FormulaC13H16O7
Molecular Weight284.26
XLogP-0.9
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity316
SMILES
C1=CC(=CC=C1C=O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11-,12-,13-/m1/s1
InChIKey
OLZAGZCCJJBKNZ-SYLRKERUSA-N
Chemical Structure
2D Structure
2D structure of Helicide
CAS: 80154-34-3
CID: 12896796
Formula: C13H16O7
MW: 284.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.26
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass284.08960285
Monoisotopic Mass284.08960285
Topological Polar Surface Area116 Ų
Heavy Atom Count20
Formal Charge0
Complexity316
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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MBS3840389-01Helicid
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A14506-250Helicid 250mg
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