Structure Database (LMSD)
Common Name
Fumonisin B2
Systematic Name
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
UXDPXZQHTDAXOZ-STOIETHLSA-N
InChi (Click to copy)
InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1
SMILES (Click to copy)
C[C@H](N)[C@@H](O)C[C@H](O)CCCCCC[C@H](C)C[C@H](OC(=O)C[C@H](C(O)=O)CC(=O)O)[C@H](OC(=O)C[C@H](C(O)=O)CC(=O)O)[C@H](C)CCCC
References
Calculated Physicochemical Properties
Heavy Atoms
49
Rings
0
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
714.98
Topological Polar Surface Area
268.28
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
14
logP
5.03
Molar Refractivity
178.76
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Created at
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Updated at
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