Structure Database (LMSD)

Common Name
Pramanicin
Systematic Name
Synonyms
LM ID
LMSP01080048
Status
Active
Exact Mass
Calculate m/z
369.215139
Formula


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

Main

Classification

String Representations

InChiKey (Click to copy)
BOWRHOKHYKPEAR-YRMVZDNFSA-N
InChi (Click to copy)
InChI=1S/C19H31NO6/c1-2-3-4-5-6-7-8-9-14-15(26-14)10-11-16(22)19(25)17(23)13(12-21)20-18(19)24/h10-11,13-15,17,21,23,25H,2-9,12H2,1H3,(H,20,24)/b11-10+/t13-,14+,15+,17-,19+/m0/s1
SMILES (Click to copy)
[C@@]1(O)(C(=O)/C=C/[C@H]2O[C@@H]2CCCCCCCCC)[C@@H](O)[C@H](CO)NC1=O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 368.36
Topological Polar Surface Area 119.39
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.32
Molar Refractivity 98.44

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Created at
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Updated at
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