Mrv0541 02241221302D          

 33 30  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.1214   -0.2578    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8359    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359    0.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5504   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9793   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6938    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4083   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1227    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8372   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5517    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2661   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9806    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6951   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4096    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7334   -3.1453    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.0189   -2.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0189   -1.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044   -3.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900   -2.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8755   -3.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1610   -2.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4465   -3.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -2.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -3.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6969   -2.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113   -3.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1258   -2.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8403   -3.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5548   -2.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2692   -3.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  CHG  3   1   2   2  -1  18  -1
M  END
> <DATABASE_ID>
FDB009749

> <DATABASE_NAME>
foodb

> <SMILES>
[Mg++].CCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2C14H28O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);/q;;+2/p-2

> <INCHI_KEY>
DMRBHZWQMKSQGR-UHFFFAOYSA-L

> <FORMULA>
C28H54MgO4

> <MOLECULAR_WEIGHT>
479.031

> <EXACT_MASS>
478.387252114

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
29.62147968814441

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion ditetradecanoate

> <ALOGPS_LOGP>
9.97

> <JCHEM_LOGP>
5.367445447666666

> <ALOGPS_LOGS>
-7.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
78.7187

> <JCHEM_ROTATABLE_BOND_COUNT>
24

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.88e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion dimyristate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB009749

> <GENERIC_NAME>
Magnesium myristate

$$$$