Products for Research Use Only
RegisterLogin

Phomopsinone A

CAT: 0013-GTR19277982-02Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19277982-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Phomopsinone A is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
1374428-43-9
Smiles
CCC[C@H]1CC2=C (CO1) C (OC) =CC (=O) O2
Molecular Formula
C12H16O4
Molecular Weight
224.26
Notes
For research use only.

Chemical Information

Phomopsinone A

Phomopsinone A is a pyranone.

CAS Number1374428-43-9
PubChem CID101578423
IUPAC Name(7S)-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
Molecular FormulaC12H16O4
Molecular Weight224.25
XLogP1
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity354
SMILES
CCC[C@H]1CC2=C(CO1)C(=CC(=O)O2)OC
InChI
InChI=1S/C12H16O4/c1-3-4-8-5-11-9(7-15-8)10(14-2)6-12(13)16-11/h6,8H,3-5,7H2,1-2H3/t8-/m0/s1
InChIKey
MTOZXGOYXQPCBP-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of Phomopsinone A
CAS: 1374428-43-9
CID: 101578423
Formula: C12H16O4
MW: 224.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.25
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass224.10485899
Monoisotopic Mass224.10485899
Topological Polar Surface Area44.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity354
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

Alternative Products

CatalogName
MBS5791428Phomopsinone D

Popular Products