Mrv0541 02011302272D          

 19 20  0  0  0  0            999 V2000
   -6.8946   -2.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7196   -2.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1321   -3.5446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7196   -4.2591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8946   -4.2591    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4821   -3.5446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4821   -4.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1321   -4.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9571   -3.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920   -2.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2594   -3.2475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0045   -4.0320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1795   -4.0320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9246   -3.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399   -2.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6946   -4.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4894   -4.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0441   -2.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6571   -3.5446    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6 19  1  1  0  0  0
  5  7  1  6  0  0  0
  4  8  1  1  0  0  0
  3  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  6  0  0  0
 12 17  1  1  0  0  0
 11 18  1  6  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM032230

> <DATABASE_NAME>
chemdb

> <SMILES>
OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O9/c11-3-1-17-10(8(15)5(3)12)18-2-4-6(13)7(14)9(16)19-4/h3-16H,1-2H2/t3-,4+,5+,6+,7-,8-,9?,10+/m1/s1

> <INCHI_KEY>
NXRFRJQIYCYJKT-BIDIDBDVSA-N

> <FORMULA>
C10H18O9

> <MOLECULAR_WEIGHT>
282.2445

> <EXACT_MASS>
282.095082174

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
25.65536015438353

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R)-2-{[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.87

> <JCHEM_LOGP>
-3.442704979666666

> <ALOGPS_LOGS>
0.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.205179811429016

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.258773791279491

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580404084756

> <JCHEM_POLAR_SURFACE_AREA>
149.07

> <JCHEM_REFRACTIVITY>
56.411699999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.59e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5R)-2-{[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

> <NAME>
5-O-beta-D-Xylopyranosyl-L-arabinose

> <CAS>
7268-80-6

$$$$