Structure Database (LMSD)
Common Name
Ustilic acid B
Systematic Name
2R,15R,16-Trihydroxyhexadecanoic acid
Synonyms
- 2,15,16-Trihydroxyhexadecanoic acid, (2R,15R)-
- R,R-2,15,16-Trihydroxypalmitic acid
LM ID
LMFA01050539
Formula
Exact Mass
Calculate m/z
304.224975
Sum Composition
Status
Active
3D model of Ustilic acid B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IZPRWLOIBRTQDF-HUUCEWRRSA-N
InChi (Click to copy)
InChI=1S/C16H32O5/c17-13-14(18)11-9-7-5-3-1-2-4-6-8-10-12-15(19)16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15-/m1/s1
SMILES (Click to copy)
C([C@H](O)CCCCCCCCCCCC[C@@H](O)CO)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
326.67
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.32
Molar Refractivity
83.65
Admin
Created at
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Updated at
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