Mrv0541 02241211412D          

 10 10  0  0  0  0            999 V2000
    0.2034    1.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411    0.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663    0.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1812    0.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8553    0.4886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8553   -0.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108   -1.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3663   -1.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1812   -1.5480    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
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM023565

> <DATABASE_NAME>
chemdb

> <SMILES>
OCC1(O)COC(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2

> <INCHI_KEY>
ASNHGEVAWNWCRQ-UHFFFAOYSA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.1299

> <EXACT_MASS>
150.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
13.47023338252624

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.20

> <JCHEM_LOGP>
-2.438202632333333

> <ALOGPS_LOGS>
0.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.313484061269477

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.235590710262377

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1423746812033153

> <JCHEM_POLAR_SURFACE_AREA>
90.15

> <JCHEM_REFRACTIVITY>
30.1803

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.29e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(hydroxymethyl)oxolane-2,3,4-triol

> <JCHEM_VEBER_RULE>
0

> <NAME>
D-Apiose

> <CAS>
639-97-4

> <SYNONYMS>
beta-D-Apiofuranose

$$$$