Mrv0541 02011302172D          

 19 20  0  0  0  0            999 V2000
    0.5500   -6.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174   -7.4832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1375   -8.2677    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9625   -8.2677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2174   -7.4832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4474   -8.9352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3474   -8.9352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9021   -7.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151   -7.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7944   -5.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2752   -6.5795    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7245   -7.2714    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5214   -7.0578    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5646   -6.2340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2565   -5.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1626   -7.5770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4289   -8.0416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514   -6.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0021   -7.2282    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
  1  5  1  0  0  0  0
  5 19  1  1  0  0  0
  4  6  1  6  0  0  0
  3  7  1  1  0  0  0
  2  8  1  6  0  0  0
  8  9  1  0  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  1  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>
CHEM032225

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O9/c11-1-3-5(12)8(15)10(19-3)17-2-4-6(13)7(14)9(16)18-4/h3-16H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+/m0/s1

> <INCHI_KEY>
HANDMAIZTZRPTQ-GJAWKPGMSA-N

> <FORMULA>
C10H18O9

> <MOLECULAR_WEIGHT>
282.2445

> <EXACT_MASS>
282.095082174

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
26.19011988405302

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4R,5S)-5-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxolane-2,3,4-triol

> <ALOGPS_LOGP>
-2.84

> <JCHEM_LOGP>
-3.442704979666666

> <ALOGPS_LOGS>
0.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.228911776483972

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.261828185012591

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981143337099244

> <JCHEM_POLAR_SURFACE_AREA>
149.07

> <JCHEM_REFRACTIVITY>
56.411699999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.64e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4R,5S)-5-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxolane-2,3,4-triol

> <JCHEM_VEBER_RULE>
0

> <NAME>
5-O-a-L-Arabinofuranosyl-L-arabinose

$$$$