6175
  -OEChem-02210610492D

 30 31  0     1  0  0  0  0  0999 V2000
    5.0868    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -3.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -2.2367    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7208   -2.2367    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4118   -1.2857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2208   -0.6979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2208    3.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.8021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -3.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607   -0.9766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    2.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    0.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -3.3175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -0.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -3.4428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  1 18  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  6  3  1  6  0  0  0
  3 13  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  1  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  1  0  0  0
  8 24  1  0  0  0  0
  9 12  1  6  0  0  0
  9 17  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
6175

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4c8AAAAAAAAAAAAAAAAAAIAEAACAAAAAAAAAAAAAAHgAAAAAIEADhFAgAAAEGgAAGQANmIgCoAIAAdAACAAEYAAAIEIMQAACAAAIHAEAOABMCFgow8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_NAME>
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one

> <PUBCHEM_NIST_INCHI>
InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1/f/h10H2

> <PUBCHEM_CACTVS_XLOGP>
-2.712

> <PUBCHEM_OPENEYE_MF>
C9H13N3O5

> <PUBCHEM_OPENEYE_MW>
243.217

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

> <PUBCHEM_CACTVS_TPSA>
128.61

> <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>
149078

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000065463

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-beta-D-Ribofuranosylcytosine
1-beta-Ribofuranosylcytosine
1beta-2'-Ribofuranosylcytosine, d-
1beta-Ribofuranosylcytosine
2(1H)-Pyrimidinone, 4-amino-1-beta-D-ribofuranosyl-
2(1H)-Pyrimidinone, 4-amino-1beta-D-ribofuranosyl-
4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone
4-Amino-1beta-D-ribofuranosyl-2(1H)-pyrimidinone
4395-95-3
65-46-3
CYTIDINE
Cyd
Cytosine riboside
Cytosine, 1-beta-D-ribofuranosyl-
EINECS 200-610-9
NSC 20258
beta-D-Ribofuranoside, cytosine-1

> <PUBCHEM_GENERIC_REGISTRY_NAME>
4395-95-3
65-46-3

> <PUBCHEM_XREF_EXT_ID>
000065463

> <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=000065463

> <PUBCHEM_CID_ASSOCIATIONS>
6175  1

> <PUBCHEM_BONDANNOTATIONS>
1  2  8
1  4  8
2  12  8
6  3  6
4  11  8
5  11  8
5  12  8
7  14  5
8  15  5
9  12  6

$$$$