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8-iso Prostaglandin E1

CAT: 0024-sc-223752Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0024-sc-223752Size:500 µg
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CAS Number
21003-46-3

Chemical Information

(8beta,11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid

8-Isoprostaglandin E1 is a prostanoid.

CAS Number21003-46-3
PubChem CID5283212
IUPAC Name7-[(1S,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Molecular FormulaC20H34O5
Molecular Weight354.5
XLogP3.2
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count25
Formal Charge0
Complexity432
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@H]1CCCCCCC(=O)O)O)O
InChI
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17+,19+/m0/s1
InChIKey
GMVPRGQOIOIIMI-JCPCGATGSA-N
Chemical Structure
2D Structure
2D structure of (8beta,11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid
CAS: 21003-46-3
CID: 5283212
Formula: C20H34O5
MW: 354.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass354.24062418
Monoisotopic Mass354.24062418
Topological Polar Surface Area94.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-116008-018-iso Prostaglandin F3α
T37165-018-iso Prostaglandin F2β
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