Mrv1652302102020382D          

 10  9  0  0  0  0            999 V2000
 9993.2233 9993.3504    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9993.9374 9993.7625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9994.6531 9993.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3686 9993.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.6531 9992.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9374 9994.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.5086 9993.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.7936 9993.3504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.5086 9994.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.2233 9992.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB001113

> <DATABASE_NAME>
foodb

> <SMILES>
O[C@H]([C@@H](O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1

> <INCHI_KEY>
FEWJPZIEWOKRBE-JCYAYHJZSA-N

> <FORMULA>
C4H6O6

> <MOLECULAR_WEIGHT>
150.0868

> <EXACT_MASS>
150.016437924

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
11.327063324959603

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R)-2,3-dihydroxybutanedioic acid

> <ALOGPS_LOGP>
-1.27

> <JCHEM_LOGP>
-1.8287998886666665

> <ALOGPS_LOGS>
0.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.792876457889947

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.719041003817166

> <JCHEM_PKA_STRONGEST_BASIC>
-4.330574673439462

> <JCHEM_POLAR_SURFACE_AREA>
115.06

> <JCHEM_REFRACTIVITY>
26.2134

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.61e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L(+)-tartaric acid

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB001113

> <GENERIC_NAME>
L-Tartaric acid

$$$$