m1963
  Mrv1572012151520502D          

 73 72  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
M2MDB006953

> <DATABASE_NAME>
M2MDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C49H94O19P2/c1-5-9-13-17-19-23-27-31-46(53)67-44(37-61-48(55)33-41(50)29-25-21-15-11-7-3)39-65-69(57,58)63-35-43(52)36-64-70(59,60)66-40-45(68-47(54)32-28-24-20-18-14-10-6-2)38-62-49(56)34-42(51)30-26-22-16-12-8-4/h41-45,50-52H,5-40H2,1-4H3,(H,57,58)(H,59,60)/t41?,42?,43?,44-,45-/m1/s1

> <INCHI_KEY>
HRKKWTYSQWMOAT-YKNJRREUSA-N

> <FORMULA>
C49H94O19P2

> <MOLECULAR_WEIGHT>
1049.22

> <EXACT_MASS>
1048.586454803

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
164

> <JCHEM_AVERAGE_POLARIZABILITY>
114.94494477174896

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-2-(decanoyloxy)-3-[(3-hydroxydecanoyl)oxy]propoxy][3-({[(2R)-2-(decanoyloxy)-3-[(3-hydroxydecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

> <ALOGPS_LOGP>
5.51

> <JCHEM_LOGP>
10.58184696733333

> <ALOGPS_LOGS>
-5.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.1918043579444646

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.589737613506168

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7987515577156117

> <JCHEM_POLAR_SURFACE_AREA>
277.40999999999997

> <JCHEM_REFRACTIVITY>
262.7087000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
54

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.63e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-(decanoyloxy)-3-[(3-hydroxydecanoyl)oxy]propoxy(3-{[(2R)-2-(decanoyloxy)-3-[(3-hydroxydecanoyl)oxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
