CID 3074280

2,3,4,6-tetraacetyl-1-beta-d-glucosaminophosphoric acid diglycidyl ester

Structural Information

Molecular Formula
C20H30NO14P
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NP(=O)(OCC2CO2)OCC3CO3)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C20H30NO14P/c1-10(22)27-9-16-17(32-11(2)23)18(33-12(3)24)19(34-13(4)25)20(35-16)21-36(26,30-7-14-5-28-14)31-8-15-6-29-15/h14-20H,5-9H2,1-4H3,(H,21,26)/t14?,15?,16-,17-,18+,19-,20-,36?/m1/s1
InChIKey
KUVRPNNNWCCTBU-HHEFSXOMSA-N
Compound name
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[bis(oxiran-2-ylmethoxy)phosphorylamino]oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.1404 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.14768 212.3
[M+Na]+ 562.12962 214.1
[M-H]- 538.13312 221.2
[M+NH4]+ 557.17422 245.7
[M+K]+ 578.10356 217.6
[M+H-H2O]+ 522.13766 204.3
[M+HCOO]- 584.13860 257.5
[M+CH3COO]- 598.15425 250.2
[M+Na-2H]- 560.11507 209.6
[M]+ 539.13985 229.0
[M]- 539.14095 229.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.