Mrv1652309032023562D          

  6  5  0  0  0  0            999 V2000
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  6  0  0  0
  1  3  1  0  0  0  0
  4  2  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB00287

> <DATABASE_NAME>
YMDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1

> <INCHI_KEY>
JVTAAEKCZFNVCJ-REOHCLBHSA-N

> <FORMULA>
C3H6O3

> <MOLECULAR_WEIGHT>
90.0779

> <EXACT_MASS>
90.031694058

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
8.05675743839785

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-hydroxypropanoic acid

> <JCHEM_LOGP>
-0.47182951800000017

> <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>
57.53

> <JCHEM_REFRACTIVITY>
18.8398

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(α)-lactate

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB00287

> <GENERIC_NAME>
D-Lactic acid

> <SYNONYMS>
(-)-Lactate; (-)-Lactic acid; (D)-(-)-Lactic acid; (R)-(-)-Lactate; (R)-(-)-Lactic acid; (R)-2-Hydroxypropanoate; (R)-2-Hydroxypropanoic acid; (R)-2-Hydroxypropionate; (R)-2-Hydroxypropionic acid; (R)-2-Hydroxypropionsaeure; (R)-a-Hydroxypropionate; (R)-a-Hydroxypropionic acid; (R)-alpha-Hydroxypropionate; (R)-alpha-Hydroxypropionic acid; (R)-Lactate; (R)-Lactic acid; (R)-Milchsaeure; 1-Lactic acid; D-(-)-Lactate; D-(-)-Lactic acid; D-2-Hydroxypropanoate; D-2-Hydroxypropanoic acid; D-2-Hydroxypropionate; D-2-Hydroxypropionic acid; D-Lactate; D-Lactic acid; D-Milchsaeure; delta-(-)-Lactate; delta-(-)-Lactic acid; delta-2-Hydroxypropanoate; delta-2-Hydroxypropanoic acid; delta-2-Hydroxypropionate; delta-2-Hydroxypropionic acid; delta-Lactate; delta-Lactic acid; DLA; L-(+)-Lactate; L-Lactic acid; Lactic acid (D); Propanoic acid, 2-hydroxy-, (2R)-; Propanoic acid, 2-hydroxy-, (R)-; Propel; Tisulac

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