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Molecule
Prostaglandin F2
CAS: 551-11-1 · C20H34O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 551-11-1
- Molecular Formula
- C20H34O5
- Molecular Mass
- 354.49 g/mol
Identifiers
CAS Registry Number
551-11-1
SMILES
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=CCCCC(=O)O)[C@@H](O)C[C@H]1O
InChI Key
PXGPLTODNUVGFL-YNNPMVKQSA-N
InChI
InChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
Names and Synonyms
- Prostaglandin F2 Common Name
- Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9α,11α,13E,15S)- Synonym
- 5-Heptenoic acid, 7-[3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]- Synonym
- (5Z,9α,11α,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dien-1-oic acid Synonym
- PGF2α Synonym
- Prostaglandin F2α Synonym
- Prostaglandin F2a Synonym
- Dinoprost Synonym
- 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid Synonym
- U 14583 Synonym
- 9α,11α,15(S)-Trihydroxy-5-cis-13-trans-prostadienoic acid Synonym
- (+)-Prostaglandin F2α Synonym
- Prostin F 2 alpha Synonym
- PGF2a Synonym
- Enzaprost Synonym
- Amoglandin Synonym
- Enzaprost F Synonym
- Prostaglandin F2 Synonym
- Panacelan Synonym
- Cyclosin Synonym
- Prostarmon F Synonym
- 9α,11α-PGF2 Synonym
- Protamodin Synonym
- Cyclosin (pharmaceutical) Synonym
- Glandin N Synonym
- 9α,11α-PGF2α Synonym
- Dinifertin Synonym
- Prostamate Synonym
- Croniben Synonym
- Glandin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.49 g/mol | CAS Common Chemistry |
| 354.487 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCCC=CCC1C(O)CC(O)C1C=CC(O)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PXGPLTODNUVGFL-YNNPMVKQSA-N | CAS Common Chemistry |
| Melting Point | 25-35 °C | CAS Common Chemistry |
| Name | Prostaglandin F2 | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
| 97.99 Ų | RDKit | |
| LogP | 3.042900000000001 | RDKit |
| 3.0429 | RDKit | |
| Molar Refractivity | 98.14320000000005 cm³/mol | RDKit |
| Formal Charge | 0 | chempirical lib |
| Ring Count | 1 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 354.2406241879999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 354.49 g/mol. Edit any field — others recompute live.
