
  Mrv0541 02231218252D          

 10 10  0  0  1  0            999 V2000
   12.9429   -2.8526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0456   -4.7894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8404   -4.7894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3950   -3.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3195   -2.2756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5305   -4.1221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2756   -3.3375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3555   -4.1221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6105   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4911   -3.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  6  2  1  6  0  0  0
  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  1  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB000116

> <DATABASE_NAME>
M2MDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1

> <INCHI_KEY>
HMFHBZSHGGEWLO-SOOFDHNKSA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.1299

> <EXACT_MASS>
150.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
13.68134580283882

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

> <ALOGPS_LOGP>
-2.65

> <JCHEM_LOGP>
-2.302204276

> <ALOGPS_LOGS>
0.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.899514700313038

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.30569577774193

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9811390578102284

> <JCHEM_POLAR_SURFACE_AREA>
90.15

> <JCHEM_REFRACTIVITY>
29.9609

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.07e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-ribofuranoside

> <JCHEM_VEBER_RULE>
0

$$$$
