Mrv1572004261613232D          

 60 59  0  0  1  0            999 V2000
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    6.8644    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9961    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5671    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4342    4.6993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.8631    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 60  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM038610

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP(O)(=O)OCCN

> <INCHI_IDENTIFIER>
InChI=1S/C43H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21,41H,3-10,12,14-16,20,22-40,44H2,1-2H3,(H,47,48)/b13-11+,19-17+,21-18+/t41-/m1/s1

> <INCHI_KEY>
VFYOEYMEMUQWTK-XAMQWKRJSA-N

> <FORMULA>
C43H80NO8P

> <MOLECULAR_WEIGHT>
770.086

> <EXACT_MASS>
769.562155538

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
133

> <JCHEM_AVERAGE_POLARIZABILITY>
94.11439960193714

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-aminoethoxy)[(2R)-3-[(11E,14E)-icosa-11,14-dienoyloxy]-2-[(9E)-octadec-9-enoyloxy]propoxy]phosphinic acid

> <ALOGPS_LOGP>
9.07

> <JCHEM_LOGP>
12.032562379136754

> <ALOGPS_LOGS>
-7.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8688003136581992

> <JCHEM_PKA_STRONGEST_BASIC>
9.999929336362278

> <JCHEM_POLAR_SURFACE_AREA>
134.38000000000002

> <JCHEM_REFRACTIVITY>
221.95970000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
42

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.84e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-aminoethoxy((2R)-3-[(11E,14E)-icosa-11,14-dienoyloxy]-2-[(9E)-octadec-9-enoyloxy]propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
PE(20:2(11Z,14Z)/18:1(9Z))

$$$$