Mrv0541 02241215212D          

 19 20  0  0  0  0            999 V2000
    1.8561   -1.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307   -1.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5355   -1.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -1.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -0.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5355   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7835    0.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2883    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    1.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2883    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656    1.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5363    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0307    0.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561    0.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656   -2.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7835   -2.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8656   -2.5992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712    2.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1958    2.0203    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  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  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
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM023545

> <DATABASE_NAME>
chemdb

> <SMILES>
OCC1OC(OC2C(O)C(O)OC2CO)C(O)C1O

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

> <INCHI_KEY>
ODBYQUUVPXHMFN-UHFFFAOYSA-N

> <FORMULA>
C10H18O9

> <MOLECULAR_WEIGHT>
282.2445

> <EXACT_MASS>
282.095082174

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
26.297994097414943

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.99

> <JCHEM_LOGP>
-3.442704979666666

> <ALOGPS_LOGS>
0.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.275953558189272

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.268026662308534

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9811434809033672

> <JCHEM_POLAR_SURFACE_AREA>
149.07

> <JCHEM_REFRACTIVITY>
56.411699999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.06e+02 g/l

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

> <JCHEM_VEBER_RULE>
0

> <NAME>
Arabinofuranobiose

> <CAS>
52287-00-0

$$$$