Structure Database (LMSD)
Common Name
Calicogorgin A
Systematic Name
Synonyms
3D model of Calicogorgin 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)
XCZMLTPOPVHWAU-FQEVSTJZSA-N
InChi (Click to copy)
InChI=1S/C23H41NO3/c1-5-14-22-18(2)19(3)23(27-22)16-13-11-9-7-6-8-10-12-15-21(26)20(17-25)24-4/h20,24-25H,5-17H2,1-4H3/t20-/m0/s1
SMILES (Click to copy)
C(CC)C1=C(C)C(C)=C(CCCCCCCCCCC(=O)[C@@H](NC)CO)O1
References
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
1
Aromatic Rings
1
Rotatable Bonds
16
Van der Waals Molecular Volume
412.65
Topological Polar Surface Area
62.47
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.62
Molar Refractivity
113.38
Admin
Created at
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Updated at
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