CID 70678985

Alpha-d-ribose 1-methylphosphonate 5-phosphate

Structural Information

Molecular Formula
C6H14O10P2
SMILES
CP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O
InChI
InChI=1S/C6H14O10P2/c1-17(9,10)16-6-5(8)4(7)3(15-6)2-14-18(11,12)13/h3-8H,2H2,1H3,(H,9,10)(H2,11,12,13)/t3-,4-,5-,6-/m1/s1
InChIKey
RITBIFGLPRFTSB-KVTDHHQDSA-N
Compound name
[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

308.00623 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.01351 159.7
[M+Na]+ 330.99545 161.7
[M+NH4]+ 326.04005 160.0
[M+K]+ 346.96939 167.7
[M-H]- 306.99895 152.9
[M+Na-2H]- 328.98090 154.8
[M]+ 308.00568 156.9
[M]- 308.00678 156.9
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.