Mrv1572004261609102D          

 59 58  0  0  1  0            999 V2000
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    6.2605    2.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
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 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  2  0  0  0  0
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 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 33 31  1  0  0  0  0
 35 34  1  0  0  0  0
 38 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 32  1  0  0  0  0
 40 33  1  0  0  0  0
 41  3  1  0  0  0  0
 41  4  1  0  0  0  0
 41  5  1  0  0  0  0
 41 34  1  0  0  0  0
 42 39  2  0  0  0  0
 43 40  2  0  0  0  0
 46 36  1  0  0  0  0
 46 39  1  0  0  0  0
 47 35  1  0  0  0  0
 48 37  1  0  0  0  0
 38 49  1  1  0  0  0
 49 40  1  0  0  0  0
 50 44  2  0  0  0  0
 50 45  1  0  0  0  0
 50 47  1  0  0  0  0
 50 48  1  0  0  0  0
 51 13  1  0  0  0  0
 52 14  1  0  0  0  0
 53 15  1  0  0  0  0
 54 16  1  0  0  0  0
 55 19  1  0  0  0  0
 56 20  1  0  0  0  0
 57 23  1  0  0  0  0
 58 25  1  0  0  0  0
 38 59  1  1  0  0  0
M  CHG  2  41   1  45  -1
M  END
> <DATABASE_ID>
CHEM037231

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(CCCC)=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13-16,19-20,23,25,38H,6-12,17-18,21-22,24,26-37H2,1-5H3/b15-13+,16-14+,20-19+,25-23+/t38-/m1/s1

> <INCHI_KEY>
MVGBUJJTKGIFFM-PEXHRVNFSA-N

> <FORMULA>
C40H72NO8P

> <MOLECULAR_WEIGHT>
725.989

> <EXACT_MASS>
725.49955528

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
122

> <JCHEM_AVERAGE_POLARIZABILITY>
87.1952768235703

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trimethyl(2-{[(2R)-2-[(6E,9E,12E)-octadeca-6,9,12-trienoyloxy]-3-[(9E)-tetradec-9-enoyloxy]propyl phosphonato]oxy}ethyl)azanium

> <ALOGPS_LOGP>
4.92

> <JCHEM_LOGP>
6.666109752528257

> <ALOGPS_LOGS>
-7.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8550572064469115

> <JCHEM_PKA_STRONGEST_BASIC>
-6.744160237391408

> <JCHEM_POLAR_SURFACE_AREA>
111.19000000000001

> <JCHEM_REFRACTIVITY>
220.33150000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
36

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.49e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trimethyl(2-{[(2R)-2-[(6E,9E,12E)-octadeca-6,9,12-trienoyloxy]-3-[(9E)-tetradec-9-enoyloxy]propyl phosphonato]oxy}ethyl)azanium

> <JCHEM_VEBER_RULE>
0

> <NAME>
PC(14:1(9Z)/18:3(6Z,9Z,12Z))

$$$$