CID 440992

2-deoxy-d-glucose 6-phosphate

Structural Information

Molecular Formula
C6H13O8P
SMILES
C1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O
InChI
InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1
InChIKey
UQJFZAAGZAYVKZ-CERMHHMHSA-N
Compound name
[(2R,3S,4R)-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

244.0348 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.042076 149.6
[M+Na]+ 267.024018 154.8
[M-H]- 243.027524 145.8
[M+NH4]+ 262.068623 162.6
[M+K]+ 282.997958 155.2
[M+H-H2O]+ 227.032060 142.6
[M+HCOO]- 289.033001 167.4
[M+CH3COO]- 303.048651 179.4
[M+Na-2H]- 265.009466 151.1
[M]+ 244.03425142 148.3
[M]- 244.03534858 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.