m1833
  Mrv1572012151520462D          

 69 72  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
M2MDB006823

> <DATABASE_NAME>
M2MDB

> <SMILES>
[H][C@@](COC(=O)CCCCCCCC1CC1CCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCCC1CC1CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C48H85N3O15P2/c1-3-5-7-17-23-36-31-38(36)25-19-13-10-9-11-15-22-28-44(53)64-40(33-61-43(52)27-21-16-12-14-20-26-39-32-37(39)24-18-8-6-4-2)34-62-67(57,58)66-68(59,60)63-35-41-45(54)46(55)47(65-41)51-30-29-42(49)50-48(51)56/h29-30,36-41,45-47,54-55H,3-28,31-35H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/t36?,37?,38?,39?,40-,41-,45+,46?,47-/m1/s1

> <INCHI_KEY>
OQQHHYSVBVSBBK-GGVARVNCSA-N

> <FORMULA>
C48H85N3O15P2

> <MOLECULAR_WEIGHT>
1006.162

> <EXACT_MASS>
1005.545593045

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
153

> <JCHEM_AVERAGE_POLARIZABILITY>
110.3235088059429

> <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)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)phosphinic acid

> <ALOGPS_LOGP>
6.40

> <JCHEM_LOGP>
9.777374358666666

> <ALOGPS_LOGS>
-5.50

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <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>
254.80050000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
42

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.18e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([(2R)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}propoxy(hydroxy)phosphoryl]oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
