Untitled Document-2
  Mrv0541 02231219422D          

 10 10  0  0  0  0            999 V2000
   -0.9199    0.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062    0.0753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2525   -0.2603    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2995    0.3528    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1130    1.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516   -0.2603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9670    0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810   -1.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7206   -0.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7206    0.5022    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  1  1  0  0  0  0
  4  6  1  4  0  0  0
  4  7  1  0  0  0  0
  3  8  1  1  0  0  0
  2  9  1  6  0  0  0
  7 10  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB000639

> <DATABASE_NAME>
M2MDB

> <SMILES>
OCC1(O)OC[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1

> <INCHI_KEY>
LQXVFWRQNMEDEE-OVEKKEMJSA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.1299

> <EXACT_MASS>
150.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
13.459546280026789

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.20

> <JCHEM_LOGP>
-2.1276643760000002

> <ALOGPS_LOGS>
0.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.844123223152558

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.292639879315793

> <JCHEM_PKA_STRONGEST_BASIC>
-3.450695969467499

> <JCHEM_POLAR_SURFACE_AREA>
90.15

> <JCHEM_REFRACTIVITY>
30.398299999999992

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.31e+03 g/l

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

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB04149

> <GENERIC_NAME>
L-Ribulose

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