Mrv0541 02231219592D          

 18 19  0  0  0  0            999 V2000
   19.7620  -14.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5920  -12.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1466  -14.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7115  -13.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6152  -11.9345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0441   -9.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3296  -10.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0441  -11.9345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9415  -14.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6152  -10.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0441  -12.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4566  -14.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3767  -13.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6316  -14.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3296  -11.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0441  -10.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7585  -11.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7585  -10.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 15  2  0  0  0  0
  6 16  2  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB023424

> <DATABASE_NAME>
foodb

> <SMILES>
CN1C(=O)C=CN(C2OC(CO)C(O)C2O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N2O6/c1-11-6(14)2-3-12(10(11)17)9-8(16)7(15)5(4-13)18-9/h2-3,5,7-9,13,15-16H,4H2,1H3

> <INCHI_KEY>
UTQUILVPBZEHTK-UHFFFAOYSA-N

> <FORMULA>
C10H14N2O6

> <MOLECULAR_WEIGHT>
258.228

> <EXACT_MASS>
258.08518619

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
24.208394780225664

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

> <ALOGPS_LOGP>
-1.43

> <JCHEM_LOGP>
-2.1915660759999995

> <ALOGPS_LOGS>
-0.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.933964639655862

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.55383181284234

> <JCHEM_PKA_STRONGEST_BASIC>
-2.980299639602592

> <JCHEM_POLAR_SURFACE_AREA>
110.53999999999999

> <JCHEM_REFRACTIVITY>
57.462299999999985

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.57e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-3-methyluridine

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB023424

> <GENERIC_NAME>
3-Methyluridine

$$$$