Structure Database (LMSD)
Common Name
(+)-Hirusten-12-oic acid
Systematic Name
(+)-6,7-epoxy-5-hydroxy-4(15)-hirusten-12-oic acid
Synonyms
3D model of (+)-Hirusten-12-oic acid
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
Level 4 Class
String Representations
InChiKey (Click to copy)
LCFUOWBIHPHLEN-BLYYJXBTSA-N
InChi (Click to copy)
InChI=1S/C15H20O5/c1-7-10(16)11-15(19-11)5-8-4-13(2,20-12(17)18)6-9(8)14(7,15)3/h8-11,16H,1,4-6H2,2-3H3,(H,17,18)/t8-,9-,10-,11-,13+,14+,15-/m1/s1
SMILES (Click to copy)
[C@@]12(C)C(=C)[C@@H](O)[C@H]3O[C@@]13C[C@@]1([H])C[C@](C)(OC(=O)O)C[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
257.29
Topological Polar Surface Area
79.29
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
3.09
Molar Refractivity
71.25
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Created at
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Updated at
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