m965
  Mrv1572012151519392D          

 62 63  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
M2MDB003720

> <DATABASE_NAME>
M2MDB

> <SMILES>
[H][C@@](COC(=O)CCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC\C=C/CCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C41H73N3O15P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-37(46)57-33(30-54-36(45)26-24-22-20-10-8-6-4-2)31-55-60(50,51)59-61(52,53)56-32-34-38(47)39(48)40(58-34)44-29-28-35(42)43-41(44)49/h15-16,28-29,33-34,38-40,47-48H,3-14,17-27,30-32H2,1-2H3,(H,50,51)(H,52,53)(H2,42,43,49)/b16-15-/t33-,34-,38+,39?,40-/m1/s1

> <INCHI_KEY>
MUMOICQVGGUBDR-SSFPQSJISA-N

> <FORMULA>
C41H73N3O15P2

> <MOLECULAR_WEIGHT>
909.989

> <EXACT_MASS>
909.451692659

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
134

> <JCHEM_AVERAGE_POLARIZABILITY>
97.87368665393552

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-3-(decanoyloxy)-2-[(9Z)-nonadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid

> <ALOGPS_LOGP>
5.29

> <JCHEM_LOGP>
7.861122127000002

> <ALOGPS_LOGS>
-4.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.2716255536258676

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8631673662376511

> <JCHEM_PKA_STRONGEST_BASIC>
-0.03198989821723941

> <JCHEM_POLAR_SURFACE_AREA>
263.27

> <JCHEM_REFRACTIVITY>
227.52410000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
38

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.37e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([(2R)-3-(decanoyloxy)-2-[(9Z)-nonadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
