Mrv1572010011511412D          

 26 27  0  0  0  0            999 V2000
   -0.1231    1.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7896   -0.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0432   -0.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2096    0.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1661   -0.3332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1666   -2.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    2.1226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3188   -2.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9123    1.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561    0.8765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759    0.8765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5432    0.6230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2897   -0.2101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5432   -0.2101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7896    0.5867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1661    0.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561    1.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5792    0.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7896   -1.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759    1.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1661    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0432   -1.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9123    0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995   -2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7459   -2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6222    0.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
 13  2  1  6  0  0  0
  2 19  1  0  0  0  0
 14  3  1  6  0  0  0
  3 22  1  0  0  0  0
  4 18  1  0  0  0  0
  4 23  1  0  0  0  0
  5 16  2  0  0  0  0
  6 19  2  0  0  0  0
  7 20  2  0  0  0  0
  8 22  2  0  0  0  0
  9 23  2  0  0  0  0
 12 10  1  1  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  1  1  0  0  0
 17 21  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09144

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)N1C=CC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H18N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,22)/t10-,12-,13-,14-/m1/s1

> <INCHI_KEY>
AUFUWRKPQLGTGF-FMKGYKFTSA-N

> <FORMULA>
C15H18N2O9

> <MOLECULAR_WEIGHT>
370.314

> <EXACT_MASS>
370.101230168

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
34.341688795547356

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl acetate

> <ALOGPS_LOGP>
0.01

> <JCHEM_LOGP>
-1.0918659106666677

> <ALOGPS_LOGS>
-1.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.701298656594782

> <JCHEM_PKA_STRONGEST_BASIC>
-4.287099696651974

> <JCHEM_POLAR_SURFACE_AREA>
137.53999999999996

> <JCHEM_REFRACTIVITY>
80.02010000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.46e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methyl acetate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09144

> <SECONDARY_ACCESSION_NUMBERS>
DB05425

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Uridine triacetate

> <SYNONYMS>
2',3',5'-tri-O-acetyluridine; 2',3',5'-Triacetyluridine; Tri-O-acetyluridine; Triacetyl uridine; Triacetyluridine; Uridine 2',3',5'-triacetate; Uridine triacetate; Vistonuridine

> <PRODUCTS>
Vistogard; Xuriden

$$$$