m2025
  Mrv1572012151521052D          

 95 96  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
M2MDB007015

> <DATABASE_NAME>
M2MDB

> <SMILES>
[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC1CC1CCCCCC)OC(=O)CC(O)CCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCC1CC1CCCCCC)OC(=O)CC(O)CCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C71H134O19P2/c1-5-9-13-17-21-29-37-45-63(72)51-70(77)89-66(55-83-68(75)47-39-31-25-19-23-27-35-43-61-49-59(61)41-33-15-11-7-3)57-87-91(79,80)85-53-65(74)54-86-92(81,82)88-58-67(90-71(78)52-64(73)46-38-30-22-18-14-10-6-2)56-84-69(76)48-40-32-26-20-24-28-36-44-62-50-60(62)42-34-16-12-8-4/h59-67,72-74H,5-58H2,1-4H3,(H,79,80)(H,81,82)/t59?,60?,61?,62?,63?,64?,65?,66-,67-/m1/s1

> <INCHI_KEY>
RIUYLXUHBGEFQT-GCHYIDFVSA-N

> <FORMULA>
C71H134O19P2

> <MOLECULAR_WEIGHT>
1353.782

> <EXACT_MASS>
1352.899456091

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
226

> <JCHEM_AVERAGE_POLARIZABILITY>
159.33941155844016

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-[(3-hydroxydodecanoyl)oxy]propoxy][3-({[(2R)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-[(3-hydroxydodecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid

> <ALOGPS_LOGP>
7.68

> <JCHEM_LOGP>
18.804707517333338

> <ALOGPS_LOGS>
-7.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.1918043575395627

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5897376131175083

> <JCHEM_PKA_STRONGEST_BASIC>
-2.798759057602271

> <JCHEM_POLAR_SURFACE_AREA>
277.40999999999997

> <JCHEM_REFRACTIVITY>
360.1167

> <JCHEM_ROTATABLE_BOND_COUNT>
72

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.14e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-[(3-hydroxydodecanoyl)oxy]propoxy(3-{[(2R)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-[(3-hydroxydodecanoyl)oxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
