Mrv0541 02241203512D          

 34 33  0  0  0  0            999 V2000
   23.8058   -7.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8058   -8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5205   -8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0971   -8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3824   -8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6678   -8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9531   -8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9531   -7.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2380   -8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5233   -8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8087   -8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0940   -8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0940   -7.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3794   -8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6647   -8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9560   -8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2471   -8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2472   -7.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5325   -8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8179   -8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1033   -8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3886   -8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3886   -7.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6740   -8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9587   -8.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2441   -8.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5294   -8.1401    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1173   -8.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9422   -7.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8148   -7.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060   -8.1401    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.5182   -8.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6933   -7.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3914   -8.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  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  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0012231

> <DATABASE_NAME>
bmdb

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+

> <INCHI_KEY>
JMVSBFJBMXQNJW-GIXZANJISA-N

> <FORMULA>
C25H44O7P2

> <MOLECULAR_WEIGHT>
518.5602

> <EXACT_MASS>
518.256226786

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
57.602275585429254

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[hydroxy({[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-yl]oxy})phosphoryl]oxy}phosphonic acid

> <ALOGPS_LOGP>
4.88

> <JCHEM_LOGP>
6.936161610666666

> <ALOGPS_LOGS>
-5.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.1843406094078315

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7672186885241006

> <JCHEM_POLAR_SURFACE_AREA>
113.29000000000002

> <JCHEM_REFRACTIVITY>
144.33570000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.23e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
geranylfarnesyl diphosphate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0012231

> <GENERIC_NAME>
Geranylfarnesyl diphosphate

$$$$