Structure Database (LMSD)

Common Name
ent-15-E2t-IsoP
Systematic Name
9-oxo-11S,15R-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8R,12S]
Synonyms
  • (11S,15R)-15-E2-IsoP[8R,12S]
LM ID
LMFA03110116
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
352.224975
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
XEYBRNLFEZDVAW-QLSSOSBMSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19+/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C[C@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](O)CCCCC)(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 375.59
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.82
Molar Refractivity 98.17

Admin

Created at
-
Updated at
-