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(3R,4R) -A2-32-01

CAT: 1410-M32751-01Size: 1 EachDry Ice: NoHazardous: No
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Description
(3R,4R) -A2-32-01 is the (R, R) -enantiomer of A2-32-01 and has potential antibacterial activity.
CAS Number
1359752-95-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
301.42
Molecular Formula
C19H27NO2
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

(3R,4R)-3-non-8-enyl-4-(2-pyridin-3-ylethyl)oxetan-2-one
CAS Number1359752-95-6
PubChem CID57403969
IUPAC Name(3R,4R)-3-non-8-enyl-4-(2-pyridin-3-ylethyl)oxetan-2-one
Molecular FormulaC19H27NO2
Molecular Weight301.4
XLogP5.3
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count22
Formal Charge0
Complexity342
SMILES
C=CCCCCCCC[C@@H]1[C@H](OC1=O)CCC2=CN=CC=C2
InChI
InChI=1S/C19H27NO2/c1-2-3-4-5-6-7-8-11-17-18(22-19(17)21)13-12-16-10-9-14-20-15-16/h2,9-10,14-15,17-18H,1,3-8,11-13H2/t17-,18-/m1/s1
InChIKey
WBHVHPLFRGISDD-QZTJIDSGSA-N
Chemical Structure
2D Structure
2D structure of (3R,4R)-3-non-8-enyl-4-(2-pyridin-3-ylethyl)oxetan-2-one
CAS: 1359752-95-6
CID: 57403969
Formula: C19H27NO2
MW: 301.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass301.204179104
Monoisotopic Mass301.204179104
Topological Polar Surface Area39.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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