CID 131769914

[[(2r,3s,4r,5s)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Structural Information

Molecular Formula
C6H15O13P3
SMILES
C[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C6H15O13P3/c1-3-5(7)6(8)4(17-3)2-16-21(12,13)19-22(14,15)18-20(9,10)11/h3-8H,2H2,1H3,(H,12,13)(H,14,15)(H2,9,10,11)/t3-,4+,5-,6+/m0/s1
InChIKey
UPWHZOYYXHKXLQ-BGPJRJDNSA-N
Compound name
[[(2R,3S,4R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

226
Patents

387.97256 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.97984 179.8
[M+Na]+ 410.96178 180.5
[M-H]- 386.96528 184.0
[M+NH4]+ 406.00638 180.2
[M+K]+ 426.93572 167.5
[M+H-H2O]+ 370.96982 154.9
[M+HCOO]- 432.97076 203.6
[M+CH3COO]- 446.98641 203.9
[M+Na-2H]- 408.94723 162.4
[M]+ 387.97201 176.6
[M]- 387.97311 176.6
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