CID 509195

8-(methoxycarbonyl)octyl 5-deoxy-5-(1,2,4-trideoxy-2-fluoro-1,4-imino-d-arabinitol-n-yl)-.alpha.-d-arabinofuranoside

Structural Information

Molecular Formula
C20H36FNO8
SMILES
COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CN2C[C@H]([C@@H]([C@H]2CO)O)F)O)O
InChI
InChI=1S/C20H36FNO8/c1-28-16(24)8-6-4-2-3-5-7-9-29-20-19(27)18(26)15(30-20)11-22-10-13(21)17(25)14(22)12-23/h13-15,17-20,23,25-27H,2-12H2,1H3/t13-,14-,15-,17+,18-,19+,20+/m1/s1
InChIKey
UHUNAJWFRWOYGD-BHJGDWCPSA-N
Compound name
methyl 9-[(2S,3S,4S,5R)-5-[[(2R,3R,4R)-4-fluoro-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]oxynonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.2425 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.24978 203.0
[M+Na]+ 460.23172 204.8
[M-H]- 436.23522 201.3
[M+NH4]+ 455.27632 210.8
[M+K]+ 476.20566 202.9
[M+H-H2O]+ 420.23976 196.0
[M+HCOO]- 482.24070 212.2
[M+CH3COO]- 496.25635 221.5
[M+Na-2H]- 458.21717 194.3
[M]+ 437.24195 205.1
[M]- 437.24305 205.1
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.