Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR02030001
Common NameVitamin K2 (W)
Systematic Name-
SynonymsVitamin K2; menaquinone-6
Exact Mass
580.4280 (neutral)    Calculate m/z:
FormulaC41H56O2
CategoryPrenol Lipids [PR]
Main ClassQuinones and hydroquinones [PR02]
Sub ClassVitamin K [PR0203]
LIPIDBANK IDVVK0001
PubChem CID5283547
InChIKeyPFRQBZFETXBLTP-RCIYGOBDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(
6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,
22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+
SMILESC1(=O)C(C)=C(C/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)C2C=CC=CC1=2
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms43Rings2Aromatic Rings1Rotatable Bonds17
 van der Waals
Molecular Volume
668.14Topological Polar
Surface Area
34.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP12.37Molar
Refractivity
186.81