Structure Database (LMSD)
Common Name
13,14-dihydro-PGE1
Systematic Name
9-oxo-11R,15S-dihydroxy-prostanoic acid
Synonyms
- 13,14-dihydro-Prostaglandin E1
LM ID
LMFA03010144
Formula
Exact Mass
Calculate m/z
356.256275
Sum Composition
Status
Active
3D model of 13,14-dihydro-PGE1
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
DPOINJQWXDTOSF-DODZYUBVSA-N
InChi (Click to copy)
InChI=1S/C20H36O5/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/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1
SMILES (Click to copy)
[C@H]1(CC[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
380.87
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
4.27
Molar Refractivity
98.36
Admin
Created at
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Updated at
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