CID 21140494

Alpha-d-glucopyranoside, beta-d-fructofuranosyl, hexadecanoate

Structural Information

Molecular Formula
C28H52O12
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@]1(CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O
InChI
InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(32)38-26-23(34)20(17-30)39-28(26,18-31)40-27-25(36)24(35)22(33)19(16-29)37-27/h19-20,22-27,29-31,33-36H,2-18H2,1H3/t19-,20-,22-,23-,24+,25-,26+,27-,28+/m1/s1
InChIKey
ODCGMAWJSFNWJQ-ZRVLSRDKSA-N
Compound name
[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7795
Patents

580.3459 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.35318 238.5
[M+Na]+ 603.33512 237.9
[M+NH4]+ 598.37972 235.8
[M+K]+ 619.30906 237.1
[M-H]- 579.33862 233.9
[M+Na-2H]- 601.32057 230.2
[M]+ 580.34535 236.3
[M]- 580.34645 236.3
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

patents stripe