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

1
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

patents stripe