CDP-DG(10:0/10:0)
  Mrv1652308101904212D          

 53 54  0  0  1  0            999 V2000
   17.4446   -4.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4834   -4.5705    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5222   -4.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4057   -4.5705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5609   -4.5705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7333   -5.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3202   -5.7228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4763   -4.2071    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.4763   -5.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8022   -4.5410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4763   -3.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8727   -4.1776    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.8727   -5.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1986   -4.5115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8727   -3.1562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1583   -6.7484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.8299   -6.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7364   -5.8701    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.0544   -5.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1052   -5.8606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.8350   -7.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1522   -7.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1011   -5.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4113   -3.3821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4113   -4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6968   -2.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6968   -4.6196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.9824   -3.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9824   -4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6969   -2.1446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1112   -4.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8465   -4.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8465   -3.3866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1324   -4.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4182   -4.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7041   -4.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9900   -4.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2759   -4.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5618   -4.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8476   -4.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1335   -4.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4194   -4.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0189   -6.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0189   -6.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3048   -5.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5906   -6.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8765   -5.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1624   -6.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4483   -5.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7342   -6.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0201   -5.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3059   -6.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5918   -5.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  1  0  0  0
 18 19  1  0  0  0  0
 18 17  1  0  0  0  0
 18 27  1  1  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 20 23  1  1  0  0  0
 21 17  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 31  2  0  0  0  0
 26 28  1  0  0  0  0
 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
 32  5  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 43  6  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB12067

> <DATABASE_NAME>
YMDB

> <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)CCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C32H57N3O15P2/c1-3-5-7-9-11-13-15-17-27(36)45-21-24(48-28(37)18-16-14-12-10-8-6-4-2)22-46-51(41,42)50-52(43,44)47-23-25-29(38)30(39)31(49-25)35-20-19-26(33)34-32(35)40/h19-20,24-25,29-31,38-39H,3-18,21-23H2,1-2H3,(H,41,42)(H,43,44)(H2,33,34,40)/t24-,25-,29+,30?,31-/m1/s1

> <INCHI_KEY>
YLSRMBDSMCQRPS-TXNQHKHTSA-N

> <FORMULA>
C32H57N3O15P2

> <MOLECULAR_WEIGHT>
785.762

> <EXACT_MASS>
785.326492143

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
109

> <JCHEM_AVERAGE_POLARIZABILITY>
80.23006347857219

> <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)-2,3-bis(decanoyloxy)propoxy](hydroxy)phosphoryl}oxy)phosphinic acid

> <ALOGPS_LOGP>
2.69

> <JCHEM_LOGP>
4.221925798666667

> <ALOGPS_LOGS>
-3.29

> <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>
184.99850000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.01e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB12067

> <GENERIC_NAME>
CDP-DG(10:0/10:0)

$$$$