Structure Database (LMSD)
Common Name
ox-LGD2
Systematic Name
9,10-seco-9-carboxy-11,11,15S-trihydroxy-5Z,8(12),13E-prostatrienoic acid 9,11-lactone
Synonyms
LM ID
LMFA03100037
Formula
Exact Mass
Calculate m/z
366.20424
Sum Composition
Status
Active
3D model of ox-LGD2
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)
RAQOIYLDXSAKSS-DPLATEDBSA-N
InChi (Click to copy)
InChI=1S/C20H30O6/c1-3-4-7-10-15(21)13-14-17-16(19(24)26-20(17,2)25)11-8-5-6-9-12-18(22)23/h5,8,13-15,21,25H,3-4,6-7,9-12H2,1-2H3,(H,22,23)/b8-5-,14-13+/t15-,20?/m0/s1
SMILES (Click to copy)
C1(C(C)(O)OC(=O)C=1C/C=C\CCCC(=O)O)/C=C/[C@@H](O)CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
381.74
Topological Polar Surface Area
106.13
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
3.82
Molar Refractivity
99.30
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Created at
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Updated at
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