Structure Database (LMSD)
Common Name
PGE1 alcohol
Systematic Name
1,11R,15S-trihydroxy-13E-prosten-9-one
Synonyms
- Prostaglandin E1 alcohol
LM ID
LMFA03010053
Formula
Exact Mass
Calculate m/z
340.26136
Sum Composition
Status
Active
3D model of PGE1 alcohol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CMHCOGHTKXUQKW-KOAZGICHSA-N
InChi (Click to copy)
InChI=1S/C20H36O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-18,20-22,24H,2-11,14-15H2,1H3/b13-12+/t16-,17+,18+,20+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1CCCCCCCO
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
372.08
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.24
Molar Refractivity
98.20
Admin
Created at
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Updated at
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