Mrv1652305271900082D          

 10 10  0  0  1  0            999 V2000
   12.6685  -10.4077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5250   -9.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9540   -8.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5250  -10.8202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3829   -9.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2395   -9.5827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9540   -9.1702    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2395  -10.4077    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6685   -9.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9540  -10.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  6  2  1  6  0  0  0
  7  3  1  1  0  0  0
  8  4  1  1  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB005944

> <DATABASE_NAME>
foodb

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

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

> <INCHI_KEY>
SRBFZHDQGSBBOR-IOVATXLUSA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.1299

> <EXACT_MASS>
150.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
13.432709748510788

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.57

> <JCHEM_LOGP>
-2.302204276

> <ALOGPS_LOGS>
0.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.786263151759016

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.310624247742409

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5265718350182684

> <JCHEM_POLAR_SURFACE_AREA>
90.15

> <JCHEM_REFRACTIVITY>
29.9609

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
d-xylose

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB005944

> <GENERIC_NAME>
D-Xylopyranose

$$$$