CID 491866

N-octyl 5-o-(5-deoxy-5-azido-.alpha.-d-arabinofuranosyl)-.alpha.-d-arabinofuranoside

Structural Information

Molecular Formula
C18H33N3O8
SMILES
CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@@H]([C@H](O2)CN=[N+]=[N-])O)O)O)O
InChI
InChI=1S/C18H33N3O8/c1-2-3-4-5-6-7-8-26-17-16(25)14(23)12(29-17)10-27-18-15(24)13(22)11(28-18)9-20-21-19/h11-18,22-25H,2-10H2,1H3/t11-,12-,13-,14-,15+,16+,17+,18+/m1/s1
InChIKey
PIMGNJQSRGIVHB-MSGXSSGNSA-N
Compound name
(2R,3S,4S,5S)-2-(azidomethyl)-5-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-octoxyoxolan-2-yl]methoxy]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.22678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.23406 199.5
[M+Na]+ 442.21600 200.1
[M-H]- 418.21950 203.6
[M+NH4]+ 437.26060 207.8
[M+K]+ 458.18994 194.7
[M+H-H2O]+ 402.22404 197.2
[M+HCOO]- 464.22498 217.9
[M+CH3COO]- 478.24063 220.8
[M+Na-2H]- 440.20145 200.2
[M]+ 419.22623 200.6
[M]- 419.22733 200.6
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.