6027
  -OEChem-02210614372D

 20 20  0     1  0  0  0  0  0999 V2000
    5.1350    0.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  1  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  1  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  6  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  1  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
6027

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4YMAAAAAAAAAAAAAAAAAAAAAAACQAAAAAAAAAAAAAGgAAAAAIAACwFAgACAADgAAGAAAAAAAAAAAAAAAAAAAAAAAAEBEAAAAAAAIFAEACAAcAAAggwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_NAME>
(2S,3R,4S,5R)-oxane-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,3R,4S,5R)-oxane-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1

> <PUBCHEM_CACTVS_XLOGP>
-2.788

> <PUBCHEM_OPENEYE_MF>
C5H10O5

> <PUBCHEM_OPENEYE_MW>
150.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(C(C(O1)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
90.15

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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_SUBSTANCE_ID>
148884

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000058866

> <PUBCHEM_SUBSTANCE_SYNONYM>
(+)-Xylose
(D)-XYLOSE
133-56-2
141492-19-5
2,3,4,5-Tetrahydroxypentanal
4-01-00-04223 (Beilstein Handbook Reference)
58-86-6
AI3-19010
BRN 1562108
CCRIS 1899
D-Xylose
EINECS 200-400-7
FEMA No. 3606
HSDB 3273
NSC 122762
Wood sugar
Xylo-Pfan
Xylose
Xylose (VAN)
Xylose [USAN]
Xylose, D-
Xylose, pure

> <PUBCHEM_GENERIC_REGISTRY_NAME>
133-56-2
141492-19-5
58-86-6

> <PUBCHEM_XREF_EXT_ID>
000058866

> <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=000058866

> <PUBCHEM_CID_ASSOCIATIONS>
6027  1

> <PUBCHEM_BONDANNOTATIONS>
1  6  5
2  7  5
3  8  6
4  9  5

$$$$