Mrv1718004171813012D          

 10  9  0  0  0  0            999 V2000
    1.0691    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600   -0.1988    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3599    0.2106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0690   -0.2106    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7889    0.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7889   -0.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600   -1.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3599    1.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690   -1.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7889    1.0239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  2  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  2  1  0  0  0  0
  3  8  1  6  0  0  0
  4  3  1  0  0  0  0
  4  9  1  6  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09419

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1

> <INCHI_KEY>
PYMYPHUHKUWMLA-VPENINKCSA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.1299

> <EXACT_MASS>
150.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
13.454511113538128

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal

> <ALOGPS_LOGP>
-2.28

> <JCHEM_LOGP>
-2.9380256209999995

> <ALOGPS_LOGS>
0.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.418761260941622

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.337668376209535

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9744929158468105

> <JCHEM_POLAR_SURFACE_AREA>
97.99000000000001

> <JCHEM_REFRACTIVITY>
31.3831

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.80e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(D)-xylose

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09419

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Xylose

> <SYNONYMS>
(+)-Xylose; aldehydo-D-xylose; D-Xylose; Wood sugar; Xylose

> <PRODUCTS>
Xylo-pfan; Xylo-tol Pwr 25gm/pck

$$$$