Mrv1652303082008142D          

 13 13  0  0  1  0            999 V2000
   11.2673  -21.1687    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9352  -20.6843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5216  -21.9536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6022  -21.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3466  -21.9543    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3871  -20.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8310  -22.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0362  -22.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4829  -20.9131    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8693  -21.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3120  -20.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0849  -21.2091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6310  -21.6862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  1  0  0  0
  3  8  1  6  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  1  6  0  0  0
 12 10  1  0  0  0  0
  1 13  1  6  0  0  0
M  END
> <DATABASE_ID>
YMDB00817

> <DATABASE_NAME>
YMDB

> <SMILES>
[H][C@@]1(OC(=O)[C@@H](O)[C@@H]1O)[C@@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1

> <INCHI_KEY>
SXZYCXMUPBBULW-NEEWWZBLSA-N

> <FORMULA>
C6H10O6

> <MOLECULAR_WEIGHT>
178.14

> <EXACT_MASS>
178.047738052

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.521129788715102

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

> <ALOGPS_LOGP>
-2.05

> <JCHEM_LOGP>
-2.745273186

> <ALOGPS_LOGS>
0.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.172871312116015

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.623539809865173

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974938008499871

> <JCHEM_POLAR_SURFACE_AREA>
107.22000000000001

> <JCHEM_REFRACTIVITY>
34.7788

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.37e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-galactono-1,4-lactone

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB00817

> <GENERIC_NAME>
L-galactono-1,4-lactone

> <SYNONYMS>
L-Galactono-1,4-lactone

$$$$