Structure Database (LMSD)
Common Name
erythro-6,8-Nonacosanediol
Systematic Name
nonacosane-6,8-diol
Synonyms
LM ID
LMFA05000656
Formula
Exact Mass
Calculate m/z
440.45933
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of erythro-6,8-Nonacosanediol
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)
DAGYDJHSDMRWJX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-29(31)27-28(30)25-23-6-4-2/h28-31H,3-27H2,1-2H3
SMILES (Click to copy)
C(C)CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
0
Aromatic Rings
0
Rotatable Bonds
26
Van der Waals Molecular Volume
527.84
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
10.07
Molar Refractivity
139.81
Admin
Created at
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Updated at
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