Structure Database (LMSD)
Common Name
Penaresidin B
Systematic Name
2S-((11S-hydroxy-13-methyltetradecyl)-4S-(hydroxymethyl)azetidin-3R-ol
Synonyms
3D model of Penaresidin B
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)
GOJDAUFFWJKIPB-CADBVGFASA-N
InChi (Click to copy)
InChI=1S/C19H39NO3/c1-15(2)13-16(22)11-9-7-5-3-4-6-8-10-12-17-19(23)18(14-21)20-17/h15-23H,3-14H2,1-2H3/t16-,17-,18-,19+/m0/s1
SMILES (Click to copy)
CC(C)C[C@@H](O)CCCCCCCCCC[C@@H]1N[C@@H](CO)[C@@H]1O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
362.27
Topological Polar Surface Area
72.72
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
3
logP
4.42
Molar Refractivity
97.97
Admin
Created at
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Updated at
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