CID 448176

1-o-[(r)-hydroxy(phosphonomethyl)phosphoryl]-5-o-phosphono-alpha-d-ribofuranose

Structural Information

Molecular Formula
C6H15O13P3
SMILES
C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1
InChIKey
JFMKBQDEISBIPL-KVTDHHQDSA-N
Compound name
[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy-hydroxyphosphoryl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.97256 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.97984 177.5
[M+Na]+ 410.96178 177.2
[M-H]- 386.96528 181.1
[M+NH4]+ 406.00638 175.7
[M+K]+ 426.93572 164.2
[M+H-H2O]+ 370.96982 151.4
[M+HCOO]- 432.97076 199.6
[M+CH3COO]- 446.98641 202.2
[M+Na-2H]- 408.94723 159.5
[M]+ 387.97201 173.1
[M]- 387.97311 173.1
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.