Mrv1652305062021432D          

 10 10  0  0  1  0            999 V2000
    3.7602    0.8346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8627   -1.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6577   -1.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2123    0.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365    1.4116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3477   -0.4350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0927    0.3497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1727   -0.4350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4277    0.3497    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3081    0.6047    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  1  0  0  0
  8  3  1  6  0  0  0
  9  4  1  6  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>
BMDB0109725

> <DATABASE_NAME>
bmdb

> <SMILES>
OC[C@H]1O[C@H](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-LECHCGJUSA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.13

> <EXACT_MASS>
150.052823422

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
13.581576670221596

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0109725

> <GENERIC_NAME>
alpha-d-Xylofuranose

$$$$