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20-hydroxy Prostaglandin E2

CAT: 0013-GTR19190418-03Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190418-03Size:500 µg
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Description
20-hydroxy Prostaglandin E2
CAS Number
57930-95-7
Field of Research
Metabolism Research
Smiles
C (/C=C\CCCC (O) =O) [C@@H]1[C@@H] (/C=C/[C@H] (CCCCCO) O) [C@H] (O) CC1=O
Molecular Formula
C20H32O6
Molecular Weight
368.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

20-Hydroxy-PGE2

20-hydroxyprostaglandin E2 is a prostaglandin E derivative that is prostaglandin E2 in which one of the methyl hydrogens at position 20 has been replaced by a hydroxy group. It is a secondary allylic alcohol, a primary alcohol, a prostaglandins E and a triol. It is functionally related to a prostaglandin E2. It is a conjugate acid of a 20-hydroxyprostaglandin E2(1-).

CAS Number57930-95-7
PubChem CID5283034
IUPAC Name(Z)-7-[(1R,2R,3R)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
Molecular FormulaC20H32O6
Molecular Weight368.5
XLogP1.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity485
SMILES
C1[C@H]([C@@H]([C@H](C1=O)C/C=C\CCCC(=O)O)/C=C/[C@H](CCCCCO)O)O
InChI
InChI=1S/C20H32O6/c21-13-7-3-4-8-15(22)11-12-17-16(18(23)14-19(17)24)9-5-1-2-6-10-20(25)26/h1,5,11-12,15-17,19,21-22,24H,2-4,6-10,13-14H2,(H,25,26)/b5-1-,12-11+/t15-,16+,17+,19+/m0/s1
InChIKey
AZIGEYVZEVXWAD-NZGURKHLSA-N
Chemical Structure
2D Structure
2D structure of 20-Hydroxy-PGE2
CAS: 57930-95-7
CID: 5283034
Formula: C20H32O6
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass368.21988874
Monoisotopic Mass368.21988874
Topological Polar Surface Area115 Ų
Heavy Atom Count26
Formal Charge0
Complexity485
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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