Mrv1652309042000172D          

 16 16  0  0  1  0            999 V2000
   -1.9884    0.3079    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1595    0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171    0.3079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9884    1.1329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9959   -0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5247    0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1825    0.4258    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1825   -0.3992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9010    0.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9010   -0.8174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5247   -0.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6233    0.4258    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6233   -0.3992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9010   -1.6424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381    0.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3381   -0.8174    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  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  6  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  1  0  0  0
 12 15  1  1  0  0  0
 13 16  1  1  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB022411

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1

> <INCHI_KEY>
NBSCHQHZLSJFNQ-RWOPYEJCSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.99390478641751

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-2.06

> <JCHEM_LOGP>
-3.056105249333333

> <ALOGPS_LOGS>
-0.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.248752256962443

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.222936327751123

> <JCHEM_PKA_STRONGEST_BASIC>
-3.64935696086094

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
46.796299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mannose 6 phosphate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB022411

> <GENERIC_NAME>
Mannose 6-phosphate

$$$$