Mrv1652305261923562D          

 10  9  0  0  0  0            999 V2000
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB01788

> <DATABASE_NAME>
YMDB

> <SMILES>
OC(C(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)

> <INCHI_KEY>
FEWJPZIEWOKRBE-UHFFFAOYSA-N

> <FORMULA>
C4H6O6

> <MOLECULAR_WEIGHT>
150.0868

> <EXACT_MASS>
150.016437924

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
11.6109384591219

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
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>
4.792876457889945

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.719041003817166

> <JCHEM_PKA_STRONGEST_BASIC>
-4.330574673439462

> <JCHEM_POLAR_SURFACE_AREA>
115.06000000000002

> <JCHEM_REFRACTIVITY>
26.2134

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.61e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(.+-.)-tartaric acid

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB01788

> <GENERIC_NAME>
Tartaric acid

> <SYNONYMS>
(+)-(2R,3R)-Tartaric acid; (+)-(R,R)-tartaric acid; (+)-L-tartaric acid; (+)-tartarate; (+)-tartaric acid; (+)-Weinsaeure; (1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid; (2R,3R)-(+)-Tartaric acid; (2R,3R)-2,3-Dihydroxybernsteinsaeure; (2R,3R)-2,3-dihydroxybutanedioate; (2R,3R)-2,3-dihydroxybutanedioic acid; (2R,3R)-2,3-dihydroxysuccinic acid; (2R,3R)-2,3-tartaric acid; (2R,3R)-Tartarate; (2R,3R)-Tartaric acid; (R,R)-(+)-tartaric acid; (R,R)-tartarate; (R,R)-tartaric acid; (R,R)-tartrate; 1,2-Dihydroxyethane-1,2-dicarboxylic acid; 2, 3-Dihydrosuccinic acid; 2,3-Dihydrosuccinic acid; 2,3-dihydroxy-succinate; 2,3-dihydroxy-succinic acid; 2,3-Dihydroxybutanedioate; 2,3-Dihydroxybutanedioic acid; 2,3-dihydroxysuccinic acid; Butanedioic acid, 2,3-dihydroxy-; Butanedioic acid, 2,3-dihydroxy- {[R-(R*,R*)]-}; d-a,b-Dihydroxysuccinic acid; D-tartaric acid; Dextrotartaric acid; Kyselina 2,3-dihydroxybutandiova; Kyselina vinna; L-(+)-tartaric acid; L-tartarate; L-tartaric acid; L-threaric acid; L(+)-tartaric acid; Malic acid, 3-hydroxy-; Natural tartaric acid; Rechtsweinsaeure; Succinic acid, 2, 3-dihydroxy; Succinic acid, 2,3-dihydroxy; Succinic acid, 2,3-dihydroxy-; TAR; Tartarate; Tartaric acid (VAN); Tartaric acid, (l); Tartaric acid, L-(+)-; Tartrate; Threaric acid; TLA; Weinsaeure; Weinsteinsaeure

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