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Alprostadil (Prostaglandin E1) Impurity 2

CAT: 1596-AR-P33075-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P33075-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41692-11-9
Synonyms
7- ((1R,2R,3R) -3-hydroxy-2- ((S, E) -3-hydroxy-2-methyloct-1-en-1-yl) -5-oxocyclopentyl) heptanoic acid; Dinoprostone
Molecular Formula
C21H36O5
Molecular Weight
368.51
API Name
Prostaglandin

Chemical Information

14-Methyl Prostaglandin E1
CAS Number41692-11-9
PubChem CID165344010
IUPAC Name7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-2-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Molecular FormulaC21H36O5
Molecular Weight368.5
XLogP3.8
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity471
SMILES
CCCCC[C@@H](/C(=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)/C)O
InChI
InChI=1S/C21H36O5/c1-3-4-7-11-18(22)15(2)13-17-16(19(23)14-20(17)24)10-8-5-6-9-12-21(25)26/h13,16-18,20,22,24H,3-12,14H2,1-2H3,(H,25,26)/b15-13+/t16-,17-,18+,20-/m1/s1
InChIKey
OZMYPGMSQVIWNC-YAITVPFGSA-N
Chemical Structure
2D Structure
2D structure of 14-Methyl Prostaglandin E1
CAS: 41692-11-9
CID: 165344010
Formula: C21H36O5
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass368.25627424
Monoisotopic Mass368.25627424
Topological Polar Surface Area94.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity471
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