demethylmenaquinone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 3
PubChem 5376004
Molecular Formula

C50H70O2

SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)C2=CC=CC=C2C1=O)/C)/C)/C)/C)/C)/C)/C)C

InChI

InChI=1S/C50H70O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+

synonyms
  • demethylmenaquinone
  • 2-demethylmenaquinone-8
  • Demethylmenaquinone 8
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Properties
Property Value
MW 703.1 g/mol
HBD 0
HBA 2
Rotatable Bond Count 23
Exact Mass 702.53758147 g/mol
Monoisotopic Mass 702.53758147 g/mol
Heavy Atom Count 52
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 1420
xlogp 16.8
Topological Polar Surface Area 34.1