Mrv1652306031609292D          

 19 18  0  0  0  0            999 V2000
   -2.1238    3.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8267    4.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    0.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590    1.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5718    3.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8070    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520    2.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5099    2.9982    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9308    3.5128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2747    5.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1660    1.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549    0.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6139    1.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5166    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7648    3.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619    2.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2971    2.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 17 10  1  0  0  0  0
 18  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 19 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045602

> <DATABASE_NAME>
chemdb

> <SMILES>
OCC(CO)OB(OC(CO)CO)OC(CO)CO

> <INCHI_IDENTIFIER>
InChI=1S/C9H21BO9/c11-1-7(2-12)17-10(18-8(3-13)4-14)19-9(5-15)6-16/h7-9,11-16H,1-6H2

> <INCHI_KEY>
WWNXZGLIVBDXMQ-UHFFFAOYSA-N

> <FORMULA>
C9H21BO9

> <MOLECULAR_WEIGHT>
284.07

> <EXACT_MASS>
284.127862

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
27.990925556401212

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({bis[(1,3-dihydroxypropan-2-yl)oxy]boranyl}oxy)propane-1,3-diol

> <ALOGPS_LOGP>
-2.12

> <JCHEM_LOGP>
-2.5717000000000003

> <ALOGPS_LOGS>
-1.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.26714464665698

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.86888713464052

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9531854103904296

> <JCHEM_POLAR_SURFACE_AREA>
149.07

> <JCHEM_REFRACTIVITY>
57.9051

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.89e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({bis[(1,3-dihydroxypropan-2-yl)oxy]boranyl}oxy)propane-1,3-diol

> <JCHEM_VEBER_RULE>
0

> <NAME>
Tris(1,3-dihydroxyprop-2-yl) borate

$$$$