m1667
  Mrv1572012151520242D          

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M  END
> <DATABASE_ID>
M2MDB006657

> <DATABASE_NAME>
M2MDB

> <SMILES>
[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C41H82O13P2/c1-4-5-6-7-8-9-10-12-17-20-23-26-29-32-41(44)54-39(36-53-56(48,49)52-34-38(42)33-51-55(45,46)47)35-50-40(43)31-28-25-22-19-16-14-11-13-15-18-21-24-27-30-37(2)3/h37-39,42H,4-36H2,1-3H3,(H,48,49)(H2,45,46,47)/t38-,39+/m0/s1

> <INCHI_KEY>
GVERFRVVMMDFTN-ZESVVUHVSA-N

> <FORMULA>
C41H82O13P2

> <MOLECULAR_WEIGHT>
845.042

> <EXACT_MASS>
844.523066696

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
138

> <JCHEM_AVERAGE_POLARIZABILITY>
99.35444076008645

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2S)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

> <ALOGPS_LOGP>
7.00

> <JCHEM_LOGP>
11.989641914333333

> <ALOGPS_LOGS>
-6.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.0402061436989327

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.354879296415124

> <JCHEM_PKA_STRONGEST_BASIC>
-3.410499386302644

> <JCHEM_POLAR_SURFACE_AREA>
195.34999999999997

> <JCHEM_REFRACTIVITY>
219.93240000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
44

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.54e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-3-{[(2R)-2-(hexadecanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB24540

> <GENERIC_NAME>
PGP(19:iso/16:0)

$$$$