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Limaprost

CAT: 1596-AR-L01659-03Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01659-03Size:100 Units
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CAS Number
74397-12-9
Synonyms
(2E) -7-[ (1R,2R,3R) -3-Hydroxy-2-[ (1E,3S,5S) -3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl]-2-heptenoic Acid; (2E,11?,13E,15S,17S) -11,15-Dihydroxy-17,20-dimethyl-9-oxo-prosta-2,13-dien-1-oic Acid; 17S,20-Dimethyl-trans-?2-PGE1; Limaprost
Molecular Formula
C22H36O5
Molecular Weight
380.53
API Name
Limaprost

Chemical Information

Limaprost

Limaprost is a long-chain fatty acid.

CAS Number74397-12-9
PubChem CID6438378
IUPAC Name(E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid
Molecular FormulaC22H36O5
Molecular Weight380.5
XLogP4.1
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count27
Formal Charge0
Complexity511
SMILES
CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O
InChI
InChI=1S/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1
InChIKey
OJZYRQPMEIEQFC-UAWLTFRCSA-N
Chemical Structure
2D Structure
2D structure of Limaprost
CAS: 74397-12-9
CID: 6438378
Formula: C22H36O5
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass380.25627424
Monoisotopic Mass380.25627424
Topological Polar Surface Area94.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes