ChEBI
  Mrv0541 02241222222D          

 16 17  0  0  1  0            999 V2000
    6.4185   -3.5210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880   -3.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185   -4.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880   -2.3436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -3.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -2.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185   -1.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7806   -3.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185   -1.1662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0563   -4.3060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7259   -3.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3103   -5.0909    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1645   -5.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8024   -5.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2252   -4.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637   -3.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
  4  2  1  0  0  0  0
  8  2  2  0  0  0  0
 11  3  1  0  0  0  0
 13  3  1  0  0  0  0
  7  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  9  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 10 15  1  1  0  0  0
 13 12  1  0  0  0  0
 12 14  1  6  0  0  0
 16 15  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB00508

> <DATABASE_NAME>
YMDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8?/m0/s1

> <INCHI_KEY>
MXHRCPNRJAMMIM-FWHJPCMOSA-N

> <FORMULA>
C9H12N2O5

> <MOLECULAR_WEIGHT>
228.202

> <EXACT_MASS>
228.074621504

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
20.99815409158322

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

> <ALOGPS_LOGP>
-1.49

> <JCHEM_LOGP>
-1.514604078666666

> <ALOGPS_LOGS>
-0.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.907903439872065

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.705729612726527

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9780835884997945

> <JCHEM_POLAR_SURFACE_AREA>
99.10000000000001

> <JCHEM_REFRACTIVITY>
51.0549

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
uracil deoxyriboside

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB00508

> <GENERIC_NAME>
2'-Deoxyuridine

> <SYNONYMS>
1-(2-deoxy-beta-D-ribofuranosyl)-2,4(1H,3H)-Pyrimidinedione; 1-(2-Deoxy-D-erythro-pentofuranosyl)uracil; 1-(2-Deoxy-delta-erythro-pentofuranosyl)uracil; 2-deoxyuridine; 2'-Deoxyuridine; 2'-Desoxyuridine; Deoxyribose uracil; Deoxyuridine; Desoxyuridine; dU; dUrd; Uracil deoxyriboside; Uracil desoxyuridine; Uridine, 2-deoxy-; Uridine, 2'-deoxy-

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