Mrv1718007061818262D          

 27 26  0  0  0  0            999 V2000
    0.3712   -0.2925    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   -2.2535   -1.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1009    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -0.0374    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9787    0.2624    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6910    1.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7210    1.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1534    2.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334    1.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2287   -1.8298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5336   -1.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8710   -2.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334   -1.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410   -0.4199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4335    0.4874    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1785    0.3375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4335    1.3123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0311   -0.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1534    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9960    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9486   -1.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0210   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6986   -1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5385   -0.3825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634    0.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  2 24  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
 16  6  1  6  0  0  0
 17  7  1  1  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  2  0  0  0  0
 13 25  2  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  1  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 27  1  6  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <DATABASE_ID>
DB14484

> <DATABASE_NAME>
drugbank

> <SMILES>
[Mg++].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO.[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/2C6H8O6.Mg/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;/h2*2,5,7-10H,1H2;/q;;+2/p-2/t2*2-,5+;/m00./s1

> <INCHI_KEY>
AIOKQVJVNPDJKA-ZZMNMWMASA-L

> <FORMULA>
C12H14MgO12

> <MOLECULAR_WEIGHT>
374.537

> <EXACT_MASS>
374.03356759

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
14.53220911748349

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) bis((2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate)

> <ALOGPS_LOGP>
-1.68

> <JCHEM_LOGP>
-1.9135588756666668

> <ALOGPS_LOGS>
-1.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.194691755527732

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.359917400580226

> <JCHEM_PKA_STRONGEST_BASIC>
-2.979728932431362

> <JCHEM_POLAR_SURFACE_AREA>
110.05000000000001

> <JCHEM_REFRACTIVITY>
47.58240000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.07e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) bis(vitamin-C)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14484

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT002423

> <DRUG_GROUPS>
approved; nutraceutical

> <GENERIC_NAME>
Magnesium ascorbate

> <SYNONYMS>
Ascorbic acid, magnesium salt; L(+)-ascorbic acid magnesium salt; Vitamin C magnesium salt

> <PRODUCTS>
EnBrace HR; EnLyte; Energy 80 Prolonged Release Tab; Enl; MaxFe; OB Complete Gold; PramLyte

$$$$