77982
  -OEChem-04260609182D

 25 24  0     1  0  0  0  0  0999 V2000
    3.4030   -0.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.0600    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 16  1  0  0  0  0
  4 15  1  0  0  0  0
 10  5  1  6  0  0  0
  5 17  1  0  0  0  0
 11  6  1  1  0  0  0
  6 18  1  0  0  0  0
 12  7  1  1  0  0  0
  7 19  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  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 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
77982

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgPAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAIAAAAAAxAIQAgQgIIAAAAAAAAAAAFAAAABEBYAAAAAQAAFIAABAADKBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid

> <PUBCHEM_IUPAC_NAME>
[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R,3S,4S)-2,3,4-trihydroxy-5-oxo-pentoxy]phosphonic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1/f/h10-11H

> <PUBCHEM_CACTVS_XLOGP>
-3.193

> <PUBCHEM_CACTVS_EXACT_MASS>
230.019

> <PUBCHEM_OPENEYE_MF>
C5H11O8P

> <PUBCHEM_OPENEYE_MW>
230.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(C(C=O)O)O)O)OP(=O)(O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@H]([C@@H]([C@@H](C=O)O)O)O)OP(=O)(O)O

> <PUBCHEM_CACTVS_TPSA>
144.52

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
230.019

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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>
8

> <PUBCHEM_SUBSTANCE_ID>
655036

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
004300281

> <PUBCHEM_SUBSTANCE_SYNONYM>
4300-28-1
D-Ribose 5-(dihydrogen phosphate)
D-Ribose 5-phosphate
D-Ribose-5-phosphoric acid
EINECS 224-310-2
R-5-P
Ribose 5-monophosphate
Ribose 5-phosphate
Ribose phosphate
Ribose, 5-(dihydrogen phosphate), D-

> <PUBCHEM_GENERIC_REGISTRY_NAME>
4300-28-1

> <PUBCHEM_XREF_EXT_ID>
004300281

> <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=004300281

> <PUBCHEM_CID_ASSOCIATIONS>
77982  1

> <PUBCHEM_BONDANNOTATIONS>
10  5  6
11  6  5
12  7  5

$$$$