ChEBI
  Mrv1652303202019002D          

 12 11  0  0  1  0            999 V2000
    6.2462   -1.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8556   -2.1593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2896   -2.8642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8989   -3.5908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3330   -4.2957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9423   -5.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196   -0.7399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0308   -2.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1143   -2.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0742   -3.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1577   -4.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1176   -5.0441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  2  1  1  0  0  0  0
  2  8  1  1  0  0  0
  3  2  1  0  0  0  0
  3  9  1  1  0  0  0
  4  3  1  0  0  0  0
  4 10  1  6  0  0  0
  5  4  1  0  0  0  0
  5 11  1  6  0  0  0
  6  5  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000101

> <DATABASE_NAME>
CDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6-/m0/s1

> <INCHI_KEY>
GZCGUPFRVQAUEE-KCDKBNATSA-N

> <FORMULA>
C6H12O6

> <MOLECULAR_WEIGHT>
180.1559

> <EXACT_MASS>
180.063388116

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.129005311291724

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal

> <ALOGPS_LOGP>
-2.41

> <JCHEM_LOGP>
-3.5683605629999993

> <ALOGPS_LOGS>
0.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.074417074125122

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.256455078919489

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974219876255926

> <JCHEM_POLAR_SURFACE_AREA>
118.22000000000001

> <JCHEM_REFRACTIVITY>
37.3456

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.61e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aldehydo-D-galactose

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB000101

> <GENERIC_NAME>
Galactose

$$$$