CID 509196

8-(methoxycarbonyl)octyl-5-deoxy-(1,4-dideoxy-1,4-imino-l-galcatitol-n-yl)-.alpha.-d-arabinofuranoside

Structural Information

Molecular Formula
C21H39NO10
SMILES
COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CN2C[C@H]([C@@H]([C@@H]2[C@H](CO)O)O)O)O)O
InChI
InChI=1S/C21H39NO10/c1-30-16(26)8-6-4-2-3-5-7-9-31-21-20(29)19(28)15(32-21)11-22-10-13(24)18(27)17(22)14(25)12-23/h13-15,17-21,23-25,27-29H,2-12H2,1H3/t13-,14+,15-,17+,18+,19-,20+,21+/m1/s1
InChIKey
ULRXWCXLVBBNRN-TWGYPCCDSA-N
Compound name
methyl 9-[(2S,3S,4S,5R)-5-[[(2S,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxypyrrolidin-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]oxynonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.2574 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.26468 208.4
[M+Na]+ 488.24662 207.8
[M-H]- 464.25012 205.2
[M+NH4]+ 483.29122 213.3
[M+K]+ 504.22056 207.1
[M+H-H2O]+ 448.25466 202.4
[M+HCOO]- 510.25560 214.6
[M+CH3COO]- 524.27125 223.7
[M+Na-2H]- 486.23207 198.7
[M]+ 465.25685 210.6
[M]- 465.25795 210.6
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.