m145
  Mrv1572012151513442D          

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M  END
> <DATABASE_ID>
M2MDB001991

> <DATABASE_NAME>
M2MDB

> <SMILES>
[H][C@@](COC(=O)CCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCC\C=C/CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C34H66NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-34(37)43-32(31-42-44(38,39)41-29-28-35)30-40-33(36)26-24-22-20-10-8-6-4-2/h12-13,32H,3-11,14-31,35H2,1-2H3,(H,38,39)/b13-12-/t32-/m1/s1

> <INCHI_KEY>
MCIYDFYMCKXGQX-RJPFEDOUSA-N

> <FORMULA>
C34H66NO8P

> <MOLECULAR_WEIGHT>
647.875

> <EXACT_MASS>
647.452605087

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
110

> <JCHEM_AVERAGE_POLARIZABILITY>
77.48819306040434

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-aminoethoxy)[(2R)-3-(decanoyloxy)-2-[(12Z)-nonadec-12-enoyloxy]propoxy]phosphinic acid

> <ALOGPS_LOGP>
7.20

> <JCHEM_LOGP>
8.75528770747009

> <ALOGPS_LOGS>
-6.60

> <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>
178.3175

> <JCHEM_ROTATABLE_BOND_COUNT>
35

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.61e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-aminoethoxy((2R)-3-(decanoyloxy)-2-[(12Z)-nonadec-12-enoyloxy]propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
