Mrv0541 07231210532D          
 
 11 11  0  0  1  0            999 V2000
   13.0489   -9.9695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3352   -9.5557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7700   -9.5557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0489  -10.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3352   -8.7320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6291   -9.9695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7700   -8.7320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4876   -9.9695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0489   -8.3182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6177   -8.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4876   -8.3182    0.0000 O   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
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  1  6  0  0  0
  7  9  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB003468

> <DATABASE_NAME>
M2MDB

> <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-/m0/s1

> <INCHI_KEY>
SHZGCJCMOBCMKK-YJRYQGEOSA-N

> <FORMULA>
C6H12O5

> <MOLECULAR_WEIGHT>
164.1565

> <EXACT_MASS>
164.068473494

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
15.31869402367184

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4R,5R,6S)-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>
34.37969999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.27e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-L-rhamnose

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB23078

> <GENERIC_NAME>
beta-L-Rhamnose

$$$$