m2027
  Mrv1572012151521062D          

101100  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
M2MDB007017

> <DATABASE_NAME>
M2MDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-35-37-41-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-31-27-23-19-15-11-7-3)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-40-32-28-24-20-16-12-8-4)70-90-77(82)64-60-56-52-48-44-42-38-36-34-30-26-22-18-14-10-6-2/h27-28,31-32,35-38,73-75,80H,5-26,29-30,33-34,39-72H2,1-4H3,(H,85,86)(H,87,88)/b31-27-,32-28-,37-35-,38-36-/t74-,75-/m1/s1

> <INCHI_KEY>
DBJPVWHGBHZQHP-OWLQQBEMSA-N

> <FORMULA>
C79H146O17P2

> <MOLECULAR_WEIGHT>
1429.968

> <EXACT_MASS>
1429.003527237

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
244

> <JCHEM_AVERAGE_POLARIZABILITY>
168.42851575243336

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-nonadec-9-enoyloxy]propoxy][3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-nonadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

> <ALOGPS_LOGP>
9.07

> <JCHEM_LOGP>
24.932842424666664

> <ALOGPS_LOGS>
-7.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <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>
402.17409999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
80

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.26e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-nonadec-9-enoyloxy]propoxy(3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-nonadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
