Mrv1652303202019012D          
 
 10 10  0  0  1  0            999 V2000
   10.8495   -9.1013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5642   -8.6854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1348   -8.6854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8495   -9.9219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5642   -7.8649    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2788   -9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1348   -7.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315   -9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8495   -7.4527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2788   -7.4527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM042469

> <DATABASE_NAME>
chemdb

> <SMILES>
O[C@@H]1CO[C@@H](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-KKQCNMDGSA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.1299

> <EXACT_MASS>
150.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
13.433270181341882

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,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>
11.31062424774241

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5265718350182684

> <JCHEM_POLAR_SURFACE_AREA>
90.15

> <JCHEM_REFRACTIVITY>
29.960899999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-D-xylose

> <JCHEM_VEBER_RULE>
0

> <NAME>
β-D-xylopyranose

$$$$