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 161.2
[M+Na]+ 330.99545 165.9
[M-H]- 306.99895 156.4
[M+NH4]+ 326.04005 173.4
[M+K]+ 346.96939 167.8
[M+H-H2O]+ 291.00349 152.8
[M+HCOO]- 353.00443 184.7
[M+CH3COO]- 367.02008 190.9
[M+Na-2H]- 328.98090 162.6
[M]+ 308.00568 164.0
[M]- 308.00678 164.0
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.