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(+) -Saxalin

CAT: 0013-GTR19217944-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217944-02Size:5 mg
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Description
(+) -Saxalin is a furanocoumarin compound naturally isolated from the plant Harbouria trachypleura. This small molecule is utilized in biochemical research to study furanocoumarin properties, including investigations into its potential interactions with biological systems in experimental models.
CAS Number
125517-45-5
Smiles
O (CC (C (C) (C) Cl) O) C=1C2=C (C=C3C1C=CO3) OC (=O) C=C2
Molecular Formula
C16H15ClO5
Molecular Weight
322.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Saxalin

Saxalin has been reported in Ammi majus, Harbouria trachypleura, and other organisms with data available.

CAS Number125517-45-5
PubChem CID182277
IUPAC Name4-(3-chloro-2-hydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
Molecular FormulaC16H15ClO5
Molecular Weight322.74
XLogP2.9
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity463
SMILES
CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)Cl
InChI
InChI=1S/C16H15ClO5/c1-16(2,17)13(18)8-21-15-9-3-4-14(19)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,18H,8H2,1-2H3
InChIKey
QPHPWCUVCZXUEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Saxalin
CAS: 125517-45-5
CID: 182277
Formula: C16H15ClO5
MW: 322.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.74
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass322.0608013
Monoisotopic Mass322.0608013
Topological Polar Surface Area68.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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MBS5825243(+)-Saxalin
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T83595-01(+) -Saxalin

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