Mrv0541 03261516282D          

 16 16  0  0  0  0            999 V2000
   -0.0837    0.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7982    0.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7982   -0.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0837   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6307   -0.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6307    0.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5126    0.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452    0.7971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5126   -0.8530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0837   -1.6779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452   -0.8530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2271    0.3846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9416    0.7971    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5972    0.7990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9416   -0.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9525    1.6002    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  6  8  1  0  0  0  0
  5 11  1  0  0  0  0
  4 10  1  0  0  0  0
  3  9  1  0  0  0  0
M  CHG  2  14  -1  16  -1
M  END
> <DATABASE_ID>
M2MDB000244

> <DATABASE_NAME>
M2MDB

> <SMILES>
OC1OC(COP([O-])([O-])=O)C(O)C(O)C1O

> <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)/p-2

> <INCHI_KEY>
NBSCHQHZLSJFNQ-UHFFFAOYSA-L

> <FORMULA>
C6H11O9P

> <MOLECULAR_WEIGHT>
258.12

> <EXACT_MASS>
258.015166092

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
20.491973365620915

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl phosphate

> <ALOGPS_LOGP>
-2.30

> <JCHEM_LOGP>
-3.056105249333333

> <ALOGPS_LOGS>
-0.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.248752256962445

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.222936327751123

> <JCHEM_PKA_STRONGEST_BASIC>
-3.64935696086094

> <JCHEM_POLAR_SURFACE_AREA>
162.57000000000002

> <JCHEM_REFRACTIVITY>
44.5529

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.50e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl phosphate

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB01078

> <GENERIC_NAME>
Mannose 6-phosphate

$$$$