m64
  Mrv1572012091514072D          

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M  END
> <DATABASE_ID>
M2MDB002031

> <DATABASE_NAME>
M2MDB

> <SMILES>
[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCC1CC1CCCCCC)OC(=O)CCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C38H73O10P/c1-3-5-7-9-10-11-12-13-14-15-18-23-27-38(42)48-36(32-47-49(43,44)46-30-35(40)29-39)31-45-37(41)26-22-19-16-17-21-25-34-28-33(34)24-20-8-6-4-2/h33-36,39-40H,3-32H2,1-2H3,(H,43,44)/t33?,34?,35-,36+/m0/s1

> <INCHI_KEY>
YJJACULWFIIAGK-NQGJMHSESA-N

> <FORMULA>
C38H73O10P

> <MOLECULAR_WEIGHT>
720.966

> <EXACT_MASS>
720.494135549

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
122

> <JCHEM_AVERAGE_POLARIZABILITY>
85.86269868949796

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
7.46

> <JCHEM_LOGP>
10.158226479333333

> <ALOGPS_LOGS>
-6.71

> <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>
193.4019

> <JCHEM_ROTATABLE_BOND_COUNT>
38

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.40e-04 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
