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
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
Other Databases
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
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Created at
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Updated at
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