CID 172879886

Chebi:143817

Structural Information

Molecular Formula
C17H30NO17P
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@H]([C@H]2OP(=O)(O)OC[C@@H](CO)OC=O)OC=O)O)O)O)N)O)O)O
InChI
InChI=1S/C17H30NO17P/c18-8-10(24)9(23)7(2-20)33-17(8)34-15-13(27)11(25)12(26)14(31-5-22)16(15)35-36(28,29)32-3-6(1-19)30-4-21/h4-17,19-20,23-27H,1-3,18H2,(H,28,29)/t6-,7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-/m1/s1
InChIKey
OPJFNVLXFZEJAV-SQVFPUTGSA-N
Compound name
[(1R,2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R)-2-formyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxy-4,5,6-trihydroxycyclohexyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.1251 Da
Monoisotopic Mass

-8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.13238 209.8
[M+Na]+ 574.11432 209.8
[M-H]- 550.11782 204.9
[M+NH4]+ 569.15892 208.9
[M+K]+ 590.08826 207.0
[M+H-H2O]+ 534.12236 198.6
[M+HCOO]- 596.12330 211.4
[M+CH3COO]- 610.13895 243.9
[M+Na-2H]- 572.09977 230.5
[M]+ 551.12455 203.0
[M]- 551.12565 203.0
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.