Mrv1652303302020032D          

 52 51  0  0  1  0            999 V2000
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   -1.4968    8.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3824   10.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112   11.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1981    3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 52  1  1  0  0  0
M  END
> <DATABASE_ID>
CDB001098

> <DATABASE_NAME>
CDB

> <SMILES>
[H][C@@](COC(=O)CCCCC=CCC=CCC=CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC

> <INCHI_IDENTIFIER>
InChI=1S/C41H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23,25,39H,3-5,7,9-10,15-16,21-22,24,26-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1

> <INCHI_KEY>
USOOWDOOXARSIY-LDLOPFEMSA-N

> <FORMULA>
C41H70NO8P

> <MOLECULAR_WEIGHT>
735.9702

> <EXACT_MASS>
735.483904733

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
121

> <JCHEM_AVERAGE_POLARIZABILITY>
87.61292759019511

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-aminoethoxy)[(2R)-3-(octadeca-6,9,12-trienoyloxy)-2-(octadeca-9,12,15-trienoyloxy)propoxy]phosphinic acid

> <ALOGPS_LOGP>
8.05

> <JCHEM_LOGP>
10.057660079136754

> <ALOGPS_LOGS>
-6.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.868800313658197

> <JCHEM_PKA_STRONGEST_BASIC>
9.999929336362278

> <JCHEM_POLAR_SURFACE_AREA>
134.38000000000002

> <JCHEM_REFRACTIVITY>
216.1075

> <JCHEM_ROTATABLE_BOND_COUNT>
37

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.20e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-aminoethoxy((2R)-3-(octadeca-6,9,12-trienoyloxy)-2-(octadeca-9,12,15-trienoyloxy)propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB001098

> <GENERIC_NAME>
PE(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))

$$$$