Structure Database (LMSD)
Common Name
C17 Sphinganine
Systematic Name
heptadecasphinganine
Synonyms
LM ID
LMSP01040003
Formula
Exact Mass
Calculate m/z
287.282429
Sum Composition
Status
Active
3D model of C17 Sphinganine
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)
KFQUQCFJDMSIJF-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h16-17,19-20H,2-15,18H2,1H3/t16-,17+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
331.24
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
logP
4.62
Molar Refractivity
88.28
Admin
Created at
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Updated at
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