(2R,3R,4R)-2,3,4,5-tetrahydroxy-2-[(phosphonatooxy)methyl]pentanal
  Marvin  10221008502D          

 17 16  0  0  0  0            999 V2000
   12.5932  -17.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8788  -18.0480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1642  -17.6355    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4498  -18.0480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7354  -17.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0208  -18.0480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3071  -18.7186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1642  -16.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4498  -18.8731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5932  -16.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3077  -18.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5932  -18.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5932  -19.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3077  -19.6980    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.3077  -20.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0222  -19.2855    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.5212  -18.9012    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 10  1  2  0  0  0  0
  1 11  1  0  0  0  0
  2  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  2  1  0  0  0  0
  3  8  1  1  0  0  0
  3  4  1  0  0  0  0
  4  9  1  6  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  2  16  -1  17  -1
M  END
> <ID>
CHEBI:57828

> <NAME>
D-hamamelose 2(1)-phosphate(2-)

> <DEFINITION>
Dianion of D-hamamelose 21-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
D-hamamelose 2(1)-phosphate dianion; D-hamamelose 2'-phosphate

> <IUPAC_NAME>
2-C-[(phosphonatooxy)methyl]-D-ribose

> <FORMULA>
C6H11O9P

> <MASS>
258.11990

> <MONOISOTOPIC_MASS>
258.01407

> <CHARGE>
-2

> <SMILES>
[H]C(=O)[C@@](O)(COP([O-])([O-])=O)[C@H](O)[C@H](O)CO

> <INCHI>
InChI=1S/C6H13O9P/c7-1-4(9)5(10)6(11,2-8)3-15-16(12,13)14/h2,4-5,7,9-11H,1,3H2,(H2,12,13,14)/p-2/t4-,5-,6-/m1/s1

> <INCHIKEY>
RIOZVCDMYGAYCJ-HSUXUTPPSA-L

$$$$