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
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
Other Databases
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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