m1501
  Mrv1572012151520192D          

105104  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
M2MDB006491

> <DATABASE_NAME>
M2MDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C83H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-43-47-51-55-59-63-67-80(85)93-73-78(99-82(87)69-65-61-57-53-49-45-39-35-31-27-23-19-15-11-7-3)75-97-101(89,90)95-71-77(84)72-96-102(91,92)98-76-79(100-83(88)70-66-62-58-54-50-46-40-36-32-28-24-20-16-12-8-4)74-94-81(86)68-64-60-56-52-48-44-42-38-34-30-26-22-18-14-10-6-2/h27-28,31-32,77-79,84H,5-26,29-30,33-76H2,1-4H3,(H,89,90)(H,91,92)/b31-27-,32-28-/t78-,79-/m1/s1

> <INCHI_KEY>
BBMHAYBEUKPMCU-QMDKMGRBSA-N

> <FORMULA>
C83H158O17P2

> <MOLECULAR_WEIGHT>
1490.108

> <EXACT_MASS>
1489.097427624

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
260

> <JCHEM_AVERAGE_POLARIZABILITY>
180.6512507315656

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[2-hydroxy-3-({hydroxy[(2R)-3-(nonadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-(nonadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid

> <ALOGPS_LOGP>
9.06

> <JCHEM_LOGP>
27.434960398

> <ALOGPS_LOGS>
-7.33

> <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>
418.3449

> <JCHEM_ROTATABLE_BOND_COUNT>
86

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.99e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-3-{[hydroxy((2R)-3-(nonadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy)phosphoryl]oxy}propoxy((2R)-3-(nonadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
