m1111
  Mrv1572012151519592D          

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M  END
> <DATABASE_ID>
M2MDB003913

> <DATABASE_NAME>
M2MDB

> <SMILES>
[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C36H72NO8P/c1-4-5-6-7-8-14-19-22-25-28-36(39)45-34(32-44-46(40,41)43-30-29-37)31-42-35(38)27-24-21-18-16-13-11-9-10-12-15-17-20-23-26-33(2)3/h33-34H,4-32,37H2,1-3H3,(H,40,41)/t34-/m1/s1

> <INCHI_KEY>
JVHIGNWEEYQAMM-UUWRZZSWSA-N

> <FORMULA>
C36H72NO8P

> <MOLECULAR_WEIGHT>
677.945

> <EXACT_MASS>
677.49955528

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
118

> <JCHEM_AVERAGE_POLARIZABILITY>
82.78895504781698

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-aminoethoxy)[(2R)-2-(dodecanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propoxy]phosphinic acid

> <ALOGPS_LOGP>
7.64

> <JCHEM_LOGP>
9.848797125470087

> <ALOGPS_LOGS>
-6.86

> <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>
134.38

> <JCHEM_REFRACTIVITY>
186.35050000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
37

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.34e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-aminoethoxy((2R)-2-(dodecanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
