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Alprostadil (Prostaglandin E1) Impurity 11

CAT: 1596-AR-P33069-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P33069-01Size:50 Units
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CAS Number
745-62-0
Synonyms
Alprostadil (Prostaglandin E1) Impurity 11
Molecular Formula
C20H36O5
Molecular Weight
356.50
API Name
Prostaglandin

Chemical Information

PGF1alpha

Prostaglandin F1alpha is a prostaglandins Falpha. It has a role as a human metabolite.

CAS Number745-62-0
PubChem CID5280939
IUPAC Name7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid
Molecular FormulaC20H36O5
Molecular Weight356.5
XLogP3.5
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count25
Formal Charge0
Complexity396
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)O
InChI
InChI=1S/C20H36O5/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/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey
DZUXGQBLFALXCR-CDIPTNKSSA-N
Chemical Structure
2D Structure
2D structure of PGF1alpha
CAS: 745-62-0
CID: 5280939
Formula: C20H36O5
MW: 356.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass356.25627424
Monoisotopic Mass356.25627424
Topological Polar Surface Area98 Ų
Heavy Atom Count25
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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