Mrv0541 05061304552D          

 11 11  0  0  0  0            999 V2000
    2.5035   -1.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1936   -0.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386   -0.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471    0.8664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0540    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090    1.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1581    1.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6061    0.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2735   -0.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0581    0.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM023558

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(=O)C1(O)OCC(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O5/c1-3(7)6(10)5(9)4(8)2-11-6/h4-5,8-10H,2H2,1H3

> <INCHI_KEY>
DTUGXZBPWDHASD-UHFFFAOYSA-N

> <FORMULA>
C6H10O5

> <MOLECULAR_WEIGHT>
162.1406

> <EXACT_MASS>
162.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
14.522167933343903

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(2,3,4-trihydroxyoxolan-2-yl)ethan-1-one

> <ALOGPS_LOGP>
-1.45

> <JCHEM_LOGP>
-1.3255750976666667

> <ALOGPS_LOGS>
0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.770083089427608

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.359973504167945

> <JCHEM_PKA_STRONGEST_BASIC>
-3.570499673412728

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
33.8919

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.64e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(2,3,4-trihydroxyoxolan-2-yl)ethanone

> <JCHEM_VEBER_RULE>
0

> <NAME>
D-1-Deoxy-erythro-hexo-2,3-diulose

$$$$