6030
  -OEChem-04260609192D

 34 35  0     1  0  0  0  0  0999 V2000
    6.8909   -3.1217    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -2.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607   -0.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819   -3.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.4307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208   -0.0693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7208   -1.6082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -0.6571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7208   -1.6082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3548    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0953   -3.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6351   -1.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.9836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -2.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    0.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.0955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    1.1207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  2  0  0  0  0
  2 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4 22  1  0  0  0  0
 16  5  1  1  0  0  0
  5 24  1  0  0  0  0
 17  6  1  1  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 18  2  0  0  0  0
 10 19  2  0  0  0  0
 14 11  1  6  0  0  0
 11 18  1  0  0  0  0
 11 20  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 26  1  0  0  0  0
 15 13  1  6  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
6030

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzPAIAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_NAME>
[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1/f/h10,16-17H

> <PUBCHEM_CACTVS_XLOGP>
-3.257

> <PUBCHEM_CACTVS_EXACT_MASS>
324.036

> <PUBCHEM_OPENEYE_MF>
C9H13N2O9P

> <PUBCHEM_OPENEYE_MW>
324.181

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

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

> <PUBCHEM_CACTVS_TPSA>
165.86

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
324.036

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
148891

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000058979

> <PUBCHEM_SUBSTANCE_SYNONYM>
5'-UMP
5'-URIDYLIC ACID
5-24-06-00173 (Beilstein Handbook Reference)
53624-79-6
58-97-9
81795-92-8
BRN 0047486
EINECS 200-408-0
UMP
UMP (nucleic acid)
Uridine 5'-(dihydrogen phosphate)
Uridine 5'-monophosphate
Uridine 5'-phosphate
Uridine 5'-phosphoric acid
Uridine monophosphate
Uridine phosphate
Uridylic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
53624-79-6
58-97-9
81795-92-8

> <PUBCHEM_XREF_EXT_ID>
000058979

> <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=000058979

> <PUBCHEM_CID_ASSOCIATIONS>
6030  1

> <PUBCHEM_BONDANNOTATIONS>
14  11  6
11  18  8
11  20  8
12  18  8
12  19  8
15  13  6
19  21  8
20  21  8
16  5  5
17  6  5

$$$$