Mrv0541 02241215092D          

 11  9  0  0  0  0            999 V2000
   -0.3327   -2.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327   -1.2368    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1577   -1.2368    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4922   -1.2368    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3327   -0.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7628    1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7628    2.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    1.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628   -1.2175    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  3   3  -1   4  -1  11   2
M  END
> <DATABASE_ID>
CHEM006376

> <DATABASE_NAME>
chemdb

> <SMILES>
[Mn++].OCC(O)COP([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H9O6P.Mn/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2

> <INCHI_KEY>
CQQGLXZHXDHSJD-UHFFFAOYSA-L

> <FORMULA>
C3H7MnO6P

> <MOLECULAR_WEIGHT>
224.9959

> <EXACT_MASS>
224.936074104

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
12.931555203726292

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
manganese(2+) ion 3-(phosphonatooxy)propane-1,2-diol

> <ALOGPS_LOGP>
-1.15

> <JCHEM_LOGP>
-1.9625800539999998

> <ALOGPS_LOGS>
-0.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.533552281214722

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5077547010974532

> <JCHEM_PKA_STRONGEST_BASIC>
-2.968964717967575

> <JCHEM_POLAR_SURFACE_AREA>
112.88000000000001

> <JCHEM_REFRACTIVITY>
29.145599999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.63e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
manganese(2+) ion glycerol 1-phosphate

> <JCHEM_VEBER_RULE>
0

> <NAME>
MANGANESE GLYCEROPHOSPHATE

> <CAS>
1320-46-3

> <SYNONYMS>
(±)-Glycerol 1-monophosphate Mn salt (1:1)

$$$$