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OXYPEUCEDANIN HYDRATE (b)

CAT: 1410-M20390-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M20390-01Size:5 mg
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Description
Oxypeucedanin hydrate is a furanocoumarin. It has a role as a metabolite.
CAS Number
133164-11-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
304.29
Molecular Formula
C16H16O6
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

4-((2S)-2,3-dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one
CAS Number133164-11-1
PubChem CID899657
IUPAC Name4-[(2S)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
Molecular FormulaC16H16O6
Molecular Weight304.29
XLogP1.6
Topological Polar Surface Area89.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity460
SMILES
CC(C)([C@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
InChI
InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m0/s1
InChIKey
PEWFWDOPJISUOK-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 4-((2S)-2,3-dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one
CAS: 133164-11-1
CID: 899657
Formula: C16H16O6
MW: 304.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.29
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass304.09468823
Monoisotopic Mass304.09468823
Topological Polar Surface Area89.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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