m34
  Mrv1572012091514062D          

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M  END
> <DATABASE_ID>
M2MDB004058

> <DATABASE_NAME>
M2MDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C30H59O12P/c1-3-5-7-9-10-11-12-14-16-18-26(33)20-30(36)42-28(24-41-43(37,38)40-22-27(34)21-31)23-39-29(35)19-25(32)17-15-13-8-6-4-2/h25-28,31-34H,3-24H2,1-2H3,(H,37,38)/t25?,26?,27-,28+/m0/s1

> <INCHI_KEY>
WEYGZADQRIFOSJ-LWCGHFMUSA-N

> <FORMULA>
C30H59O12P

> <MOLECULAR_WEIGHT>
642.764

> <EXACT_MASS>
642.374414338

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
71.88190777264867

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2S)-2,3-dihydroxypropoxy][(2R)-3-[(3-hydroxydecanoyl)oxy]-2-[(3-hydroxytetradecanoyl)oxy]propoxy]phosphinic acid

> <ALOGPS_LOGP>
3.50

> <JCHEM_LOGP>
4.918880065333332

> <ALOGPS_LOGS>
-5.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.604803005304284

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8907737767186727

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7987515577156117

> <JCHEM_POLAR_SURFACE_AREA>
189.28

> <JCHEM_REFRACTIVITY>
161.5319

> <JCHEM_ROTATABLE_BOND_COUNT>
32

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.05e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2,3-dihydroxypropoxy((2R)-3-[(3-hydroxydecanoyl)oxy]-2-[(3-hydroxytetradecanoyl)oxy]propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
