Mrv1652309042000322D          

 16 16  0  0  0  0            999 V2000
 9999.644810001.0869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.930310001.4994    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9999.343910002.2131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.211710001.0848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.518810002.2131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0745 9998.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7882 9999.0235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.213810000.2619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2138 9998.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6448 9997.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.644010000.2614    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.9295 9999.8489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.9295 9999.0238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6440 9998.6114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3585 9999.0238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.3585 9999.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 16  1  0  0  0  0
 11  1  1  1  0  0  0
 15  6  1  6  0  0  0
 14 10  1  1  0  0  0
 13  9  1  6  0  0  0
 12  8  1  6  0  0  0
M  END
> <DATABASE_ID>
YMDB00831

> <DATABASE_NAME>
YMDB

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

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

> <INCHI_KEY>
HXXFSFRBOHSIMQ-RWOPYEJCSA-N

> <FORMULA>
C6H13O9P

> <MOLECULAR_WEIGHT>
260.1358

> <EXACT_MASS>
260.029718526

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
20.790098772255853

> <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-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-2.00

> <JCHEM_LOGP>
-3.056105249333333

> <ALOGPS_LOGS>
-0.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.218893458242332

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1553718480897146

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810995814615806

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
46.796299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.23e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α-D-mannose 1-phosphate

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB00831

> <GENERIC_NAME>
alpha-D-mannose 1-phosphate

> <SYNONYMS>
1-(dihydrogen phosphate)-D-Mannopyranose; 1-(dihydrogen phosphate)-delta-Mannopyranose; 1-O-phosphono-alpha-D-mannopyranose; alpha-D-mannose 1-phosphate; alpha-delta-Mannose 1-phosphate; D-Mannose 1-phosphate; D-mannose 1-phosphates; D-mannose-1-phosphate; delta-mannose 1-phosphates; delta-mannose-1-phosphate; Mannose 1-phosphate; Mannose 1-phosphate-Mannopyranose; mannose-1-P

$$$$