Structure Database (LMSD)
Common Name
13,14-dihydro-2,3-dinor PGF1alpha
Systematic Name
9S,11R,15S-trihydroxy-13E-2,3-dinor-prostaenoic acid
Synonyms
- dihydro-dinorprostaglandin F1alpha
- dihydro-dinor PGF1alpha
- 13,14-dihydro-2,3-dinor ProstaglaninF1alpha
LM ID
LMFA03010306
Formula
Exact Mass
Calculate m/z
330.240626
Sum Composition
Status
Curated
3D model of 13,14-dihydro-2,3-dinor PGF1alpha
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
BUOWZLBWIULGFV-JZAWBGDQSA-N
InChi (Click to copy)
InChI=1S/C18H34O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/t13-,14+,15+,16-,17+/m0/s1
SMILES (Click to copy)
[C@H]1(CC[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1CCCCC(=O)O
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
Rotatable Bonds
12
Van der Waals Molecular Volume
348.91
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.57
Molar Refractivity
90.63
Admin
Created at
22nd Aug 2025
Updated at
22nd Aug 2025