Structure Database (LMSD)

Common Name
Nor-Dolichoic acid-[13-22]
Systematic Name
Synonyms
LM ID
LMPR03070024
Formula
Exact Mass
Calculate m/z
360.30283
Status
Curated

Classification

String Representations

InChiKey (Click to copy)
XKOAXHKWXLCOGH-YQUIFEAJSA-N
InChi (Click to copy)
InChI=1S/C24H40O2/c1-19(2)11-7-12-20(3)13-8-14-21(4)15-9-16-22(5)17-10-18-23(6)24(25)26/h11,13,15,17,23H,7-10,12,14,16,18H2,1-6H3,(H,25,26)/b20-13+,21-15+,22-17-/t23-/m0/s1
SMILES (Click to copy)
C([C@H](C)C(=O)O)C{-}/C=C(\C{+n}C/C=C(/CC/C=C(\C)/CC/C=C(\C)/C)\C)/C

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 428.14
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.63
Molar Refractivity 114.44

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Created at
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Updated at
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