Mrv0541 02241222482D          
 
 16 16  0  0  1  0            999 V2000
   14.3089  -12.0686    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.1352  -12.0723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4827  -12.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3089  -11.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3015  -12.8948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7681  -11.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4731  -11.9511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4731  -12.7736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1894  -11.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1894  -13.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7681  -13.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9095  -11.9511    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.9095  -12.7736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1894  -14.0129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6221  -11.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6221  -13.1905    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  4  0  0  0
 13 16  1  1  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB00966

> <DATABASE_NAME>
YMDB

> <SMILES>
OC1O[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-QTVWNMPRSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
20.58865044592404

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4S,5S)-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

> <YMDB_ID>
YMDB00966

> <GENERIC_NAME>
D-mannose 6-phosphate

> <SYNONYMS>
6-O-phosphono-D-mannose; alpha-D-mannose-6-P; alpha-D-mannose-6-phosphate; alpha-delta-mannose-6-P; alpha-delta-mannose-6-phosphate; D-Mannose 6-phosphate; D-Mannose, 6-(dihydrogen phosphate); delta-Mannose 6-phosphate; Man-6-p; Mannose 6-phosphate; Mannose 6-phosphic acid; Mannose-6-phosphate

$$$$