150971
  -OEChem-05302104212D

 33 34  0     1  0  0  0  0  0999 V2000
    5.3122   -1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.9766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4154   -3.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855   -2.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2353    0.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    0.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692    1.8021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    3.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.2857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0032   -2.2367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5032   -0.6979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0032   -2.2367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5910   -3.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3692    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2558   -1.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3908   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9508   -0.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6156   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0338   -3.3175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7619   -3.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6676   -3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1003    0.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -1.1850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -2.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -2.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -3.4428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1003    2.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9663    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0402    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  9  2  1  1  0  0  0
  2 16  1  0  0  0  0
 10  3  1  1  0  0  0
  3 25  1  0  0  0  0
  4 13  1  0  0  0  0
  4 30  1  0  0  0  0
  5 15  2  0  0  0  0
 11  6  1  6  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 15  1  0  0  0  0
  7 18  2  0  0  0  0
  8 18  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  6  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  2  0  0  0  0
 14 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
150971

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
397

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCAAACBThgAYDAANABgCoACJmdACAAAEAAgAIAAAYABCDEAIAgAAPQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2-oxolanyl]-2-pyrimidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-1-[(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>R</I>)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15N3O5/c1-17-8-7(15)5(4-14)18-9(8)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,9-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RFCQJGFZUQFYRF-ZOQUXTDFSA-N

> <PUBCHEM_XLOGP3>
-1.6

> <PUBCHEM_EXACT_MASS>
257.10117059

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
257.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1C(C(OC1N2C=CC(=NC2=O)N)CO)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
257.10117059

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  6
14  17  8
17  18  8
9  2  5
10  3  5
11  6  6
6  14  8
6  15  8
7  15  8
7  18  8

$$$$
