6029
  -OEChem-02210614342D

 29 30  0     1  0  0  0  0  0999 V2000
    5.6238    2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    0.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -1.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.5691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -1.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -0.2614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -3.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.4867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -3.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -2.0817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -1.1307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -2.0817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208   -0.5429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3086   -2.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    3.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -1.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607   -0.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 22  1  0  0  0  0
 15 24  2  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 25  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  1  0  0  0
 18 20  1  0  0  0  0
 18 28  1  1  0  0  0
 19 21  1  6  0  0  0
 19 26  1  0  0  0  0
 20 23  1  6  0  0  0
 20 26  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
6029

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4c8AAAAAAAAAAAAAAAAAAIAEAACAAAAAAAAAAAAAAHgAAAAAIEADhFAgAAAEGgAAGwANWIQCIAIAAUAACAAAIAAAIEINAAACAAAIPAEAOABMiFwow8MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone

> <PUBCHEM_NIST_INCHI>
InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/f/h10H

> <PUBCHEM_CACTVS_XLOGP>
-3.126

> <PUBCHEM_OPENEYE_MF>
C9H12N2O6

> <PUBCHEM_OPENEYE_MW>
244.201

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

> <PUBCHEM_CACTVS_TPSA>
119.33

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_SUBSTANCE_ID>
148890

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000058968

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-beta-D-Ribofuranosyluracil
12693-39-9
58-96-8
68184-15-6
AI3-52690
EINECS 200-407-5
NSC 20256
URIDINE
Uracil riboside
Uracil, 1-beta-D-ribofuranosyl-
Urd
Uridin

> <PUBCHEM_GENERIC_REGISTRY_NAME>
12693-39-9
58-96-8
68184-15-6

> <PUBCHEM_XREF_EXT_ID>
000058968

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000058968

> <PUBCHEM_CID_ASSOCIATIONS>
6029  1

> <PUBCHEM_BONDANNOTATIONS>
13  14  8
13  15  8
14  23  8
15  22  8
16  22  8
16  23  8
17  27  5
18  28  5
19  21  6
20  23  6

$$$$