Structure Database (LMSD)
Common Name
(9Me,4E,8E,10E-d19:3)sphingosine
Systematic Name
9-methyl-sphinga-4E,8E,10E-trienine
Synonyms
LM ID
LMSP01080014
Formula
Exact Mass
Calculate m/z
309.266779
Sum Composition
Status
Active
3D model of (9Me,4E,8E,10E-d19:3)sphingosine
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)
YWSMQDAGCQEIIC-SNNCSWOYSA-N
InChi (Click to copy)
InChI=1S/C19H35NO2/c1-3-4-5-6-7-8-10-13-17(2)14-11-9-12-15-19(22)18(20)16-21/h10,12-15,18-19,21-22H,3-9,11,16,20H2,1-2H3/b13-10+,15-12+,17-14+/t18-,19+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CC/C=C(\C)/C=C/CCCCCCC)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
357.92
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
logP
4.72
Molar Refractivity
97.23
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Created at
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Updated at
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