Structure Database (LMSD)
Common Name
Depdecin
Systematic Name
2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol
Synonyms
- 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-undeca-5E,19-dien-1-ol
- (2R,3S,4S,5E,7S,8S,9R)-2,9-dihydroxy-3,4,7,8-diepoxy-undeca-5,10-diene
LM ID
LMFA05000013
Formula
Exact Mass
Calculate m/z
228.099775
Sum Composition
Status
Curated
3D model of Depdecin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
WWAQOPQUSWZTHG-SHEFQFEDSA-N
InChi (Click to copy)
InChI=1S/C11H16O5/c1-2-6(13)10-8(15-10)3-4-9-11(16-9)7(14)5-12/h2-4,6-14H,1,5H2/b4-3+/t6-,7-,8+,9+,10+,11+/m1/s1
SMILES (Click to copy)
C(=C)[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]1O[C@H]1[C@H](O)CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
2
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
212.81
Topological Polar Surface Area
85.75
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
0.98
Molar Refractivity
59.32
Admin
Created at
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Updated at
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