Structure Database (LMSD)

Common Name
Pravastatin
Systematic Name
(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Synonyms
LM ID
LMFA05000695
Status
Active
Exact Mass
Calculate m/z
424.246105
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
TUZYXOIXSAXUGO-PZAWKZKUSA-N
InChi (Click to copy)
InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
SMILES (Click to copy)
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC(=O)O)=C[C@@H](O)C[C@@H]2OC([C@@H](C)CC)=O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 432.71
Topological Polar Surface Area 124.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.59
Molar Refractivity 113.49

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Created at
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Updated at
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