CID 155802555

Chebi:167477

Structural Information

Molecular Formula
C19H33N2O16P
SMILES
C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)NC(=O)C
InChI
InChI=1S/C19H33N2O16P/c1-6(17(27)28)34-16-12(21-8(3)24)19(36-10(13(16)25)5-33-38(30,31)32)37-15-9(4-22)35-18(29)11(14(15)26)20-7(2)23/h6,9-16,18-19,22,25-26,29H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)(H2,30,31,32)/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18?,19+/m1/s1
InChIKey
XQLZNTOJYKUHKQ-NNRGKNABSA-N
Compound name
(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.1568 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.16408 221.9
[M+Na]+ 599.14602 220.2
[M-H]- 575.14952 219.4
[M+NH4]+ 594.19062 221.6
[M+K]+ 615.11996 218.6
[M+H-H2O]+ 559.15406 211.0
[M+HCOO]- 621.15500 223.8
[M+CH3COO]- 635.17065 255.3
[M+Na-2H]- 597.13147 247.2
[M]+ 576.15625 223.5
[M]- 576.15735 223.5
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.