Structure Database (LMSD)
Common Name
4-hydroxy-8cis-sphingenine
Systematic Name
4R-hydroxy-sphing-8Z-enine
Synonyms
LM ID
LMSP01080009
Formula
Exact Mass
Calculate m/z
315.277344
Sum Composition
Status
Active
3D model of 4-hydroxy-8cis-sphingenine
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)
CQKNELOTFUSOTP-OGAXSGQXSA-N
InChi (Click to copy)
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10-/t16-,17+,18-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)[C@@](O)([H])CCC/C=C\CCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
354.69
Topological Polar Surface Area
86.71
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
3
logP
4.04
Molar Refractivity
94.70
Admin
Created at
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Updated at
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