Mrv0541 02241219462D          

 13 10  0  0  0  0            999 V2000
   -0.3740    1.9303    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2089    1.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3740    0.7645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339    1.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463    0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463    2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640   -0.7644    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3190   -1.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640   -1.9303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1439   -1.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564   -0.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5564    0.6324    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  3   1  -1   7  -1  13   2
M  END
> <DATABASE_ID>
FDB010879

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/2C3H6O3.Mg/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2

> <INCHI_KEY>
OVGXLJDWSLQDRT-UHFFFAOYSA-L

> <FORMULA>
C6H10MgO6

> <MOLECULAR_WEIGHT>
202.445

> <EXACT_MASS>
202.03277995

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
7.643052041683044

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion bis(2-hydroxypropanoate)

> <ALOGPS_LOGP>
-0.33

> <JCHEM_LOGP>
-0.47182951800000017

> <ALOGPS_LOGS>
-0.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.593508084825753

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.784942414122652

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6696493832413326

> <JCHEM_POLAR_SURFACE_AREA>
60.36

> <JCHEM_REFRACTIVITY>
29.676900000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.76e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion dilactate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB010879

> <GENERIC_NAME>
Magnesium lactate

$$$$