CID 444761

D-gluco-2,5-anhydro-1-deoxy-1-phosphonohexitol-6-phosphate

Structural Information

Molecular Formula
C6H14O10P2
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14O10P2/c7-5-3(1-15-18(12,13)14)16-4(6(5)8)2-17(9,10)11/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
InChIKey
YBOWGOLYQKBCFB-JGWLITMVSA-N
Compound name
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.00623 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.01351 162.9
[M+Na]+ 330.99545 167.1
[M-H]- 306.99895 156.7
[M+NH4]+ 326.04005 174.4
[M+K]+ 346.96939 168.1
[M+H-H2O]+ 291.00349 154.5
[M+HCOO]- 353.00443 184.8
[M+CH3COO]- 367.02008 188.9
[M+Na-2H]- 328.98090 163.7
[M]+ 308.00568 163.8
[M]- 308.00678 163.8
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.