Structure database (LMSD)

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LM IDLMPR03040008
Common NameGlycinoprenol-9
Systematic Name-
Synonyms-
Exact Mass
636.6209 (neutral)    Calculate m/z:
FormulaC45H80O
CategoryPrenol Lipids [PR]
Main ClassPolyprenols [PR03]
Sub ClassPhytoprenols [PR0304]
PubChem CID9547193
InChIKeyFWVIPKAFIXXKIW-ZSCINCOVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C45H80O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6
)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h25,27,29,31,
33,35,37-39,46H,11-24,26,28,30,32,34,36H2,1-10H3/b40-25+,41-27-,42-29-,43-31-,44
-33-,45-35-
SMILESOC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CCCC(C)CCCC(C)
CCCC(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms46Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
780.01Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP15.28Molar
Refractivity
211.01