Mrv1652305271900182D          

 12 11  0  0  1  0            999 V2000
    5.9494   -8.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639   -8.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3784   -8.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0928   -8.4784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8074   -8.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5218   -8.4784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2363   -8.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9508   -8.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5218   -7.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8074   -9.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0928   -7.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3784   -9.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  6  9  1  1  0  0  0
  5 10  1  1  0  0  0
  4 11  1  1  0  0  0
  3 12  1  1  0  0  0
M  END
> <DATABASE_ID>
YMDB00087

> <DATABASE_NAME>
YMDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1

> <INCHI_KEY>
FBPFZTCFMRRESA-UNTFVMJOSA-N

> <FORMULA>
C6H14O6

> <MOLECULAR_WEIGHT>
182.1718

> <EXACT_MASS>
182.07903818

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.143868562582828

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol

> <ALOGPS_LOGP>
-2.68

> <JCHEM_LOGP>
-3.7300188486666666

> <ALOGPS_LOGS>
0.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.37874915684328

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.585200956788803

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974211614825128

> <JCHEM_POLAR_SURFACE_AREA>
121.38000000000001

> <JCHEM_REFRACTIVITY>
38.4036

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.29e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-iditol

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB00087

> <GENERIC_NAME>
L-Iditol

> <SYNONYMS>
Cordycepic acid; D-Dulcitol; D-Galactitol; dulcite; dulcitol; dulcose; galactitol; glucitol; Hexahydric alcohol; Hexahydroxyhexane; Hexitol; iso-sorbide; Isotol; Karion; L-Gulitol; Manna sugar; Mannit; Mannite; meglumine; mitobronitol; Sionit; Sionon; Siosan; Sorbo; Sorbol

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