Mrv0541 02231217232D          

 11 11  0  0  1  0            999 V2000
   -0.8444    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1299    1.0500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5846    1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.0500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0135    1.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.2250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0135   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5845   -0.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5845   -1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1299    0.2251    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8444   -0.1874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
M  END
> <DATABASE_ID>
BMDB0003081

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1

> <INCHI_KEY>
SHZGCJCMOBCMKK-FPRJBGLDSA-N

> <FORMULA>
C6H12O5

> <MOLECULAR_WEIGHT>
164.1565

> <EXACT_MASS>
164.068473494

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
15.281244896234004

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.39

> <JCHEM_LOGP>
-1.885629251333333

> <ALOGPS_LOGS>
0.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.724419195509512

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.30218058050956

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121738272477764

> <JCHEM_POLAR_SURFACE_AREA>
90.15

> <JCHEM_REFRACTIVITY>
34.3797

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.27e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-D-fucose

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0003081

> <GENERIC_NAME>
Beta-D-Fucose

> <SYNONYMS>
6-deoxy-beta-D-galactopyranose; 6-deoxy-beta-delta-galactopyranose; b-D-fucopyranose; beta-D-Fuc; beta-D-fucopyranose; beta-D-Fucose; beta-delta-Fuc; beta-delta-fucopyranose; FCB

$$$$