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Aliphatics

2,3-dinor-PGE1

2,3-丁炔前列腺素E1

PHY-NP-12143 · Natural product research catalog

Catalog numberPHY-NP-12143
CAS number7046-40-4
Molecular formulaC18H30O5
Molecular weight326.433 g/mol
Chemical classAliphatics
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 2,3-dinor-PGE1

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Product information

2,3-dinor-PGE1 is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name5-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]pentanoic acid
SMILESCCCCC[C@@H](C=C[C@H]1[C@@H](CC(=O)[C@@H]1CCCCC(=O)O)O)O
InChIKeyGTUGBRJEKVKOKQ-KLZNWCGWSA-N
Subclass / scaffoldEicosanoids:Isoprostanes Prostaglandins
PubChem CID16061101

Computed properties

Exact mass (Da)326.2093Predicted LogP2.6949
Predicted TPSA (Ų)94.83H-bond donors3
H-bond acceptors4Rotatable bonds11

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count1
Aromatic rings0
Fraction Csp³0.778
Synthetic accessibility score3.69
QED score0.401
Lipinski rule violations0
NPClassifier pathwayFatty acids
NPClassifier superclassEicosanoids
NPClassifier classIsoprostanes;Prostaglandins
Parent SMILESCCCCC[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCC(=O)O
Parent formulaC18H30O5
Parent molecular weight326.433
Specified stereocenters4
Unspecified stereocenters0

Reported natural occurrence

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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