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Prostaglandin F2
CAS: 551-11-1 | C20H34O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
551-11-1
Molecular Formula:
C20H34O5
Molecular Mass:
354.49 g/mol
Names and Synonyms:
Prostaglandin F2
Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9α,11α,13E,15S)-
5-Heptenoic acid, 7-[3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-
(5Z,9α,11α,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dien-1-oic acid
PGF2α
Prostaglandin F2α
Prostaglandin F2a
Dinoprost
7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid
U 14583
9α,11α,15(S)-Trihydroxy-5-cis-13-trans-prostadienoic acid
(+)-Prostaglandin F2α
Prostin F 2 alpha
PGF2a
Enzaprost
Amoglandin
Enzaprost F
Prostaglandin F2
Panacelan
Cyclosin
Prostarmon F
9α,11α-PGF2
Protamodin
Cyclosin (pharmaceutical)
Glandin N
9α,11α-PGF2α
Dinifertin
Prostamate
Croniben
Glandin
Identifiers:
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:
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
Key Properties
Melting Point
25-35 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.49 g/mol | CAS Common Chemistry |
| 354.487 g/mol | RDKit | |
| 354.2406241879999 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 |
| LogP | 3.042900000000001 | RDKit |
| Molar Refractivity | 98.14320000000005 | RDKit |
