Untitled Document-9
  Mrv0541 02231219402D          

  9  9  0  0  0  0            999 V2000
   -0.7136    0.0023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7136   -0.8227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0711   -1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560   -0.4102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0711    0.2572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -1.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810    0.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810   -0.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    1.3077    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
  2  6  1  1  0  0  0
  1  7  1  6  0  0  0
  4  8  1  6  0  0  0
  7  9  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB000483

> <DATABASE_NAME>
M2MDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m1/s1

> <INCHI_KEY>
PDWIQYODPROSQH-WISUUJSJSA-N

> <FORMULA>
C5H10O4

> <MOLECULAR_WEIGHT>
134.1305

> <EXACT_MASS>
134.057908808

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
12.672116914961766

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.06

> <JCHEM_LOGP>
-1.4015662129999997

> <ALOGPS_LOGS>
0.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.970472920803942

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.360977999134441

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9789221500650536

> <JCHEM_POLAR_SURFACE_AREA>
69.92

> <JCHEM_REFRACTIVITY>
28.450199999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-deoxyribose

> <JCHEM_VEBER_RULE>
0

$$$$
