Structure Database (LMSD)
Common Name
Halaminol A
Systematic Name
1-deoxy-tetradecasphing-13-enine
Synonyms
3D model of Halaminol A
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)
KLWPMNOQFSPVII-UONOGXRCSA-N
InChi (Click to copy)
InChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,13-14,16H,1,4-12,15H2,2H3/t13-,14+/m0/s1
SMILES (Click to copy)
C[C@H](N)[C@H](O)CCCCCCCCCC=C
References
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
267.91
Topological Polar Surface Area
46.25
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
1
logP
3.96
Molar Refractivity
72.43
Admin
Created at
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Updated at
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