Mrv1909 11202020222D          

 19 15  0  0  0  0            999 V2000
    1.0605    0.2314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8847    0.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605    1.0557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -0.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362    0.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5150   -0.2314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8015    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0881   -0.2314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0881   -1.0557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3699    0.1829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3699    1.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562   -0.2314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6562   -1.0557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9428    0.1829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2293   -0.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2293   -1.0557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9428    1.0072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5798   -0.0869    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.5150   -0.1215    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  1  0  0  0
  1  3  2  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
> <DATABASE_ID>
DBSALT003059

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cl-].[K+].OS(O)(=O)=O.N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C6H13NO5.ClH.K.H2O4S/c7-3(1-8)5(11)6(12)4(10)2-9;;;1-5(2,3)4/h1,3-6,9-12H,2,7H2;1H;;(H2,1,2,3,4)/q;;+1;/p-1/t3-,4+,5+,6+;;;/m0.../s1

> <INCHI_KEY>
UOUQWMJTBOYJTE-YZJMRIMCSA-M

> <FORMULA>
C6H15ClKNO9S

> <MOLECULAR_WEIGHT>
351.79

> <EXACT_MASS>
350.9793114

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.0012607584522095

> <JCHEM_AVERAGE_POLARIZABILITY>
16.822435576722064

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal sulfuric acid chloride

> <ALOGPS_LOGP>
-2.63

> <JCHEM_LOGP>
-3.6752423596666666

> <ALOGPS_LOGS>
0.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.781218715912585

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.773394451706764

> <JCHEM_PKA_STRONGEST_BASIC>
6.859454229035626

> <JCHEM_POLAR_SURFACE_AREA>
124.01

> <JCHEM_REFRACTIVITY>
39.003099999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.95e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
potassium D-(+)-glucosamine sulfuric acid chloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT003059

> <NAME>
Glucosamine sulfate potassium chloride

> <DRUG_DRUGBANK_ID>
DB01296

> <DRUG_NAME>
Glucosamine

> <CAS_NUMBER>
1296149-08-0

> <UNII>
15VQ11I66N

$$$$