m33
  Mrv1572012081519172D          

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M  END
> <DATABASE_ID>
M2MDB002096

> <DATABASE_NAME>
M2MDB

> <SMILES>
[H][C@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCC1CC1CCCC)OC(=O)CCCCCCCC1CC1CCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCC1CC1CCCCCC)OC(=O)CCCCCCCC1CC1CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C73H134O17P2/c1-5-9-13-27-39-63-51-65(63)43-31-20-16-24-34-46-71(76)84-56-69(90-73(78)48-36-26-18-22-32-44-66-52-64(66)40-28-14-10-6-2)58-88-92(81,82)86-54-67(74)53-85-91(79,80)87-57-68(89-72(77)47-35-25-17-21-30-42-62-50-60(62)38-12-8-4)55-83-70(75)45-33-23-15-19-29-41-61-49-59(61)37-11-7-3/h59-69,74H,5-58H2,1-4H3,(H,79,80)(H,81,82)/t59?,60?,61?,62?,63?,64?,65?,66?,67-,68+,69+/m0/s1

> <INCHI_KEY>
NPZQBULSGFLDAC-OSENKEJNSA-N

> <FORMULA>
C73H134O17P2

> <MOLECULAR_WEIGHT>
1345.806

> <EXACT_MASS>
1344.909626851

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
226

> <JCHEM_AVERAGE_POLARIZABILITY>
158.18904720135936

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-2,3-bis({[8-(2-butylcyclopropyl)octanoyl]oxy})propoxy][(2S)-3-({[(2R)-2,3-bis({[8-(2-hexylcyclopropyl)octanoyl]oxy})propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

> <JCHEM_LOGP>
20.59781690133333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.191804358217231

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.589737614322373

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4105029523385797

> <JCHEM_POLAR_SURFACE_AREA>
236.94999999999996

> <JCHEM_REFRACTIVITY>
362.4737

> <JCHEM_ROTATABLE_BOND_COUNT>
70

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2,3-bis({[8-(2-butylcyclopropyl)octanoyl]oxy})propoxy((2S)-3-{[(2R)-2,3-bis({[8-(2-hexylcyclopropyl)octanoyl]oxy})propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
