Structure #1
  Mrv0541 02241207062D          

  9  9  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  CHG  1   6   1
M  END
> <DATABASE_ID>
M2MDB001064

> <DATABASE_NAME>
M2MDB

> <SMILES>
OC1C[NH2+]CC(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/p+1

> <INCHI_KEY>
RMCNETIHECSPMZ-UHFFFAOYSA-O

> <FORMULA>
C5H12NO3

> <MOLECULAR_WEIGHT>
134.1537

> <EXACT_MASS>
134.081718255

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
13.340336491521358

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5-trihydroxypiperidin-1-ium

> <ALOGPS_LOGP>
-2.05

> <JCHEM_LOGP>
-2.2554082409999996

> <ALOGPS_LOGS>
0.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.250601999609394

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.984093368515929

> <JCHEM_PKA_STRONGEST_BASIC>
8.532356118563184

> <JCHEM_POLAR_SURFACE_AREA>
77.30000000000001

> <JCHEM_REFRACTIVITY>
42.026799999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.79e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxypiperidin-1-ium

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB20219

> <GENERIC_NAME>
1-Deoxyxylonojirimycin

$$$$