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15-Keto Prostaglandin E2

CAT: 0572-TRC-K202060-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-K202060-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26441-05-4
Synonyms
15-Keto Prostaglandin E2
Hazard Statement
No Data Available
Smiles
CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)O
Molecular Formula
C20 H30 O5
Molecular Weight
350.449
InChI
InChI=1S/C20H30O5/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/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1
Additionnal Information
IUPAC name: (Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid
Shipping Conditions
Room Temperature

Chemical Information

15-Keto-PGE2

15-dehydro-prostaglandin E2 is a prostaglandins E. It is functionally related to a prostaglandin E2. It is a conjugate acid of a 15-dehydro-prostaglandin E2(1-).

CAS Number26441-05-4
PubChem CID5280719
IUPAC Name(Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular FormulaC20H30O5
Molecular Weight350.4
XLogP2.7
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity506
SMILES
CCCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H30O5/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/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1
InChIKey
YRTJDWROBKPZNV-KMXMBPPJSA-N
Chemical Structure
2D Structure
2D structure of 15-Keto-PGE2
CAS: 26441-05-4
CID: 5280719
Formula: C20H30O5
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass350.20932405
Monoisotopic Mass350.20932405
Topological Polar Surface Area91.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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