CID 16727827

(2r,3s,4s,5s)-4-amino-2-[(2r,3s,4s,5s)-4-hydroxy-2-(hydroxymethyl)-5-octoxy-tetrahydrofuran-3-yl]oxy-5-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C18H35NO8
SMILES
CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@@H]([C@H](O2)CO)N)O)O
InChI
InChI=1S/C18H35NO8/c1-2-3-4-5-6-7-8-24-17-15(23)16(12(10-21)26-17)27-18-14(22)13(19)11(9-20)25-18/h11-18,20-23H,2-10,19H2,1H3/t11-,12-,13-,14+,15+,16-,17+,18-/m1/s1
InChIKey
ZVCGGTJCXZQIHJ-FAZHARAESA-N
Compound name
(2R,3S,4S,5S)-4-amino-2-[(2R,3S,4S,5S)-4-hydroxy-2-(hydroxymethyl)-5-octoxyoxolan-3-yl]oxy-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.23627 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.24355 193.4
[M+Na]+ 416.22549 195.2
[M-H]- 392.22899 194.6
[M+NH4]+ 411.27009 202.5
[M+K]+ 432.19943 194.4
[M+H-H2O]+ 376.23353 187.9
[M+HCOO]- 438.23447 205.7
[M+CH3COO]- 452.25012 216.3
[M+Na-2H]- 414.21094 188.0
[M]+ 393.23572 195.8
[M]- 393.23682 195.8
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

No patent data available for this compound.