m68
  Mrv1572012091514072D          

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M  END
> <DATABASE_ID>
M2MDB006496

> <DATABASE_NAME>
M2MDB

> <SMILES>
[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCC1CC1CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C35H67O10P/c1-3-5-7-8-9-10-11-12-13-16-19-23-34(38)42-28-33(29-44-46(40,41)43-27-32(37)26-36)45-35(39)24-20-17-14-15-18-22-31-25-30(31)21-6-4-2/h30-33,36-37H,3-29H2,1-2H3,(H,40,41)/t30?,31?,32-,33+/m0/s1

> <INCHI_KEY>
VFTRMNJUJSCLNW-WBJUMYHASA-N

> <FORMULA>
C35H67O10P

> <MOLECULAR_WEIGHT>
678.885

> <EXACT_MASS>
678.447185355

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
113

> <JCHEM_AVERAGE_POLARIZABILITY>
79.8061087440026

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-2-{[8-(2-butylcyclopropyl)octanoyl]oxy}-3-(tetradecanoyloxy)propoxy][(2S)-2,3-dihydroxypropoxy]phosphinic acid

> <ALOGPS_LOGP>
6.64

> <JCHEM_LOGP>
8.824520484333334

> <ALOGPS_LOGS>
-6.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.641245576372423

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8907737771908404

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9689647678483633

> <JCHEM_POLAR_SURFACE_AREA>
148.82000000000002

> <JCHEM_REFRACTIVITY>
179.5989

> <JCHEM_ROTATABLE_BOND_COUNT>
35

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.75e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-{[8-(2-butylcyclopropyl)octanoyl]oxy}-3-(tetradecanoyloxy)propoxy((2S)-2,3-dihydroxypropoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
