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Prostaglandin D2 Ethanolamide

CAT: 0024-sc-205447ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205447ASize:5 mg
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CAS Number
398138-28-8

Chemical Information

prostaglandin D2 ethanolamide

Prostaglandin D2 ethanolamide is an N-acylethanolamine resulting from the formal condensation of the carboxy group of prostaglandin D2 with the amino group of ethanolamine. It is a monocarboxylic acid amide and a N-acylethanolamine. It is functionally related to a prostaglandin D2.

CAS Number398138-28-8
PubChem CID5283120
IUPAC Name(Z)-N-(2-hydroxyethyl)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enamide
Molecular FormulaC22H37NO5
Molecular Weight395.5
XLogP1.7
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count28
Formal Charge0
Complexity517
SMILES
CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)NCCO)O
InChI
InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-20,24-26H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,20-/m0/s1
InChIKey
KEYDJKSQFDUAGF-YIRKRNQHSA-N
Chemical Structure
2D Structure
2D structure of prostaglandin D2 ethanolamide
CAS: 398138-28-8
CID: 5283120
Formula: C22H37NO5
MW: 395.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP31.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass395.26717328
Monoisotopic Mass395.26717328
Topological Polar Surface Area107 Ų
Heavy Atom Count28
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T38389-01Prostaglandin D2 Ethanolamide
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GTR19232674-0111β-Prostaglandin F2α Ethanolamide
166054Prostaglandin D2 Ethanolamide-d4
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