Mrv1572004251600022D          

 24 15  0  0  0  0            999 V2000
   -0.9625    1.1908    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    1.5125   -0.2382    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    3.9875    1.1908    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    6.4625   -0.2382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   -0.5500   -0.9526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.4763    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.2382    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1375   -0.2382    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -0.9526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000    0.4763    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6375   -0.2382    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8125   -0.2382    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    8.7018   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7018    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.9393    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.1143    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -4.0316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.6026    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3171    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3171    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.0643   -4.0316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643   -2.6026    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3018   -3.3171    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4768   -3.3171    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  8  5  2  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
 12  9  2  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 16 13  2  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
 20 17  2  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
 24 21  2  0  0  0  0
 24 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  CHG  8   1   3   2   3   3   2   4   2   6  -1   7  -1  10  -1  11  -1
M  CHG  6  14  -1  15  -1  18  -1  19  -1  22  -1  23  -1
M  END
> <DATABASE_ID>
CHEM004686

> <DATABASE_NAME>
chemdb

> <SMILES>
[Al+3].[Al+3].[Ca++].[Ca++].[O-][Si]([O-])=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O.[O-][Si]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2Al.2Ca.5O3Si/c;;;;5*1-4(2)3/q2*+3;2*+2;5*-2

> <INCHI_KEY>
IQDXNHZDRQHKEF-UHFFFAOYSA-N

> <FORMULA>
Al2Ca2O15Si5

> <MOLECULAR_WEIGHT>
514.529

> <EXACT_MASS>
513.6966108

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
4.217826221245687

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dialuminium(3+) ion dicalcium pentakis(oxosilanebis(olate))

> <ALOGPS_LOGP>
0.66

> <JCHEM_LOGP>
-1.3787999999999996

> <ALOGPS_LOGS>
-1.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.301029995663981

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6989700043360183

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
4.3287

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.91e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dialuminium(3+) ion dicalcium pentakis(oxosilanebis(olate))

> <JCHEM_VEBER_RULE>
0

> <NAME>
ALUMINUM CALCIUM SILICATE

> <CAS>
1327-39-5

$$$$