Structure database (LMSD)

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LM IDLMPR02010039
Common NameDihydromenaquinone-8
Systematic Name2-methyl-3-((2E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-
octamethyldotriaconta-2,10,14,18,22,26,30-heptaenyl)naphthalene-1,4-dione
SynonymsMK-8(H2)
Exact Mass
718.5689 (neutral)    Calculate m/z:
FormulaC51H74O2
CategoryPrenol Lipids [PR]
Main ClassQuinones and hydroquinones [PR02]
Sub ClassUbiquinones [PR0201]
PubChem CID6442197
InChIKeyROENOAFLUDRPDJ-PPGBVOQZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C51H74O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(
6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-
49(48)51(47)53/h11-12,20,22,24,26,28,30,34-36,44H,13-19,21,23,25,27,29,31-33,37H
2,1-10H3/b39-22+,40-24+,41-26+,42-28+,43-30+,45-36+
SMILESC1(C/C=C(\C)/CCCC(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=
C(\C)/C)C(=O)C2=C(C=CC=C2)C(=O)C=1C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms53Rings2Aromatic Rings1Rotatable Bonds24
 van der Waals
Molecular Volume
838.50Topological Polar
Surface Area
34.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP15.90Molar
Refractivity
232.81